EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GC9YCQ2M5U
EPA CompTox	DTXSID3065873

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GC9YCQ2M5U

EPA CompTox

DTXSID3065873


InChI Key	XVRYJVBZYWBOFI-UHFFFAOYSA-N
Smiles	COc1cc(C(=O)c2ccccc2)c(OC)cc1N
InChI	InChI=1S/C15H15NO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3

InChI Key

XVRYJVBZYWBOFI-UHFFFAOYSA-N

Smiles

COc1cc(C(=O)c2ccccc2)c(OC)cc1N

InChI

InChI=1S/C15H15NO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3

Property Name	Value
Molecular Formula	C15H15N1O3
Molecular Weight	257.11
AlogP	2.52
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	61.55
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H15N1O3

Molecular Weight

257.11

AlogP

2.52

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

61.55

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	15270-08-3
NORMAN SUSDAT
FDA SRS	GC9YCQ2M5U
PubChem	84860
ChemSpider	76552.0

Resources

Reference

CAS NUMBER

15270-08-3

NORMAN SUSDAT

FDA SRS

GC9YCQ2M5U

PubChem

84860

ChemSpider

76552.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

METHANONE, (4-AMINO-2,5-DIMETHOXYPHENYL)PHENYL-

Structure

Physicochemical Descriptors

Cross References