EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70239825

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70239825


InChI Key	XJKJEBRXZVBBCZ-UHFFFAOYSA-N
Smiles	COCCOCCOc1c(N)ccc(N)c1
InChI	InChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,12-13H2,1H3

InChI Key

XJKJEBRXZVBBCZ-UHFFFAOYSA-N

Smiles

COCCOCCOc1c(N)ccc(N)c1

InChI

InChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,12-13H2,1H3

Property Name	Value
Molecular Formula	C11H18N2O3
Molecular Weight	226.13
AlogP	0.89
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	79.73
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H18N2O3

Molecular Weight

226.13

AlogP

0.89

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

79.73

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	93881-99-3
NORMAN SUSDAT
PubChem	3022757
ChemSpider	2289176.0

Resources

Reference

CAS NUMBER

93881-99-3

NORMAN SUSDAT

PubChem

3022757

ChemSpider

2289176.0

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-(2-(2-METHOXYETHOXY)ETHOXY)BENZENE-1,4-DIAMINE

Structure

Physicochemical Descriptors

Cross References