EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZNF8H2AQ7Z
EPA CompTox	DTXSID8066006

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZNF8H2AQ7Z

EPA CompTox

DTXSID8066006


InChI Key	YVEZBGKUTDESAG-UHFFFAOYSA-N
Smiles	COc1c(ccc(N)c1)N1CCCC1
InChI	InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

InChI Key

YVEZBGKUTDESAG-UHFFFAOYSA-N

Smiles

COc1c(ccc(N)c1)N1CCCC1

InChI

InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

Property Name	Value
Molecular Formula	C11H16N2O1
Molecular Weight	192.13
AlogP	1.88
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	38.49
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H16N2O1

Molecular Weight

192.13

AlogP

1.88

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

38.49

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	16089-42-2
NORMAN SUSDAT
FDA SRS	ZNF8H2AQ7Z
PubChem	85276
ChemSpider	76907.0

Resources

Reference

CAS NUMBER

16089-42-2

NORMAN SUSDAT

FDA SRS

ZNF8H2AQ7Z

PubChem

85276

ChemSpider

76907.0

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

BENZENAMINE, 3-METHOXY-4-(1-PYRROLIDINYL)-

Structure

Physicochemical Descriptors

Cross References