EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	28021LMQ3D
EPA CompTox	DTXSID60152615

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

28021LMQ3D

EPA CompTox

DTXSID60152615


InChI Key	RPJUVNYXHUCRMG-UHFFFAOYSA-N
Smiles	CC(C)(C)c1cc(N)c(O)cc1
InChI	InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3

InChI Key

RPJUVNYXHUCRMG-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(N)c(O)cc1

InChI

InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3

Property Name	Value
Molecular Formula	C10H15N1O1
Molecular Weight	165.12
AlogP	2.27
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H15N1O1

Molecular Weight

165.12

AlogP

2.27

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1199-46-8
NORMAN SUSDAT
FDA SRS	28021LMQ3D
PubChem	70982
ChemSpider	64143.0

Resources

Reference

CAS NUMBER

1199-46-8

NORMAN SUSDAT

FDA SRS

28021LMQ3D

PubChem

70982

ChemSpider

64143.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-AMINO-4-TERT-BUTYLPHENOL

Structure

Physicochemical Descriptors

Cross References