EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z9S7XZ6JTL
EPA CompTox	DTXSID3070674

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z9S7XZ6JTL

EPA CompTox

DTXSID3070674


InChI Key	ILVYHPABHVLWQB-UHFFFAOYSA-N
Smiles	CCOc1cc(N)c(OCC)cc1N(CC)CC
InChI	InChI=1S/C14H24N2O2/c1-5-16(6-2)12-10-13(17-7-3)11(15)9-14(12)18-8-4/h9-10H,5-8,15H2,1-4H3

InChI Key

ILVYHPABHVLWQB-UHFFFAOYSA-N

Smiles

CCOc1cc(N)c(OCC)cc1N(CC)CC

InChI

InChI=1S/C14H24N2O2/c1-5-16(6-2)12-10-13(17-7-3)11(15)9-14(12)18-8-4/h9-10H,5-8,15H2,1-4H3

Property Name	Value
Molecular Formula	C14H24N2O2
Molecular Weight	252.18
AlogP	2.91
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	47.72
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H24N2O2

Molecular Weight

252.18

AlogP

2.91

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

47.72

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	67828-52-8
NORMAN SUSDAT
FDA SRS	Z9S7XZ6JTL
PubChem	105736
ChemSpider	95300.0

Resources

Reference

CAS NUMBER

67828-52-8

NORMAN SUSDAT

FDA SRS

Z9S7XZ6JTL

PubChem

105736

ChemSpider

95300.0

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

1,4-BENZENEDIAMINE, 2,5-DIETHOXY-N,N-DIETHYL-

Structure

Physicochemical Descriptors

Cross References