EcoDrugPlus


Synonyms	Methoxyphenamine
Status
Molecule Category	Free-form
ATC	R03CB02
UNII	J3Z5SRI26Z
EPA CompTox	DTXSID0023292

Synonyms

Methoxyphenamine

Status

Molecule Category

Free-form

ATC

R03CB02

UNII

J3Z5SRI26Z

EPA CompTox

DTXSID0023292


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	OEHAYUOVELTAPG-UHFFFAOYSA-N
Smiles	CNC(C)Cc1ccccc1OC
InChI	InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3

InChI Key

OEHAYUOVELTAPG-UHFFFAOYSA-N

Smiles

CNC(C)Cc1ccccc1OC

InChI

InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3

Property Name	Value
Molecular Formula	C11H17NO
Molecular Weight	179.26
AlogP	1.85
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	21.26
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H17NO

Molecular Weight

179.26

AlogP

1.85

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

21.26

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	134817
ChEMBL	CHEMBL2010507
DrugBank	DB13624
DrugCentral	1755
FDA SRS	J3Z5SRI26Z
Human Metabolome Database	HMDB0041930
PubChem	4117
SureChEMBL	SCHEMBL218289

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0041930

PubChem

4117

SureChEMBL

SCHEMBL218289


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

METHOXYPHENAMINE

Structure

Physicochemical Descriptors

Cross References