EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H1IL51K9CW
EPA CompTox	DTXSID6042492

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H1IL51K9CW

EPA CompTox

DTXSID6042492


InChI Key	ZJMLMBICUVVJDX-UHFFFAOYSA-N
Smiles	C1CN(CCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2

InChI Key

ZJMLMBICUVVJDX-UHFFFAOYSA-N

Smiles

C1CN(CCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2

Property Name	Value
Molecular Formula	C23H23N1O1
Molecular Weight	329.18
AlogP	4.31
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	12.47
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C23H23N1O1

Molecular Weight

329.18

AlogP

4.31

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

12.47

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	1420-06-0
NORMAN SUSDAT
FDA SRS	H1IL51K9CW
PubChem	14993
ChemSpider	14273.0

Resources

Reference

CAS NUMBER

1420-06-0

NORMAN SUSDAT

FDA SRS

H1IL51K9CW

PubChem

14993

ChemSpider

14273.0

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...

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

Last update: Monday, 3 November 2025

TRIFENMORPH

Structure

Physicochemical Descriptors

Cross References