EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2T2SR57NZE
EPA CompTox	DTXSID10233887

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2T2SR57NZE

EPA CompTox

DTXSID10233887


InChI Key	NEXDPQSALYOYQZ-UHFFFAOYSA-N
Smiles	Cc1c(O)c(cc(CN2CCOCC2)c1)C(C)(C)C
InChI	InChI=1S/C16H25NO2/c1-12-9-13(11-17-5-7-19-8-6-17)10-14(15(12)18)16(2,3)4/h9-10,18H,5-8,11H2,1-4H3

InChI Key

NEXDPQSALYOYQZ-UHFFFAOYSA-N

Smiles

Cc1c(O)c(cc(CN2CCOCC2)c1)C(C)(C)C

InChI

InChI=1S/C16H25NO2/c1-12-9-13(11-17-5-7-19-8-6-17)10-14(15(12)18)16(2,3)4/h9-10,18H,5-8,11H2,1-4H3

Property Name	Value
Molecular Formula	C16H25N1O2
Molecular Weight	263.19
AlogP	2.83
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	32.7
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H25N1O2

Molecular Weight

263.19

AlogP

2.83

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

32.7

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	84824-97-5
NORMAN SUSDAT
FDA SRS	2T2SR57NZE
PubChem	3020161
ChemSpider	2287134.0

Resources

Reference

CAS NUMBER

84824-97-5

NORMAN SUSDAT

FDA SRS

2T2SR57NZE

PubChem

3020161

ChemSpider

2287134.0

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

6-TERT-BUTYL-4-(MORPHOLINOMETHYL)-O-CRESOL

Structure

Physicochemical Descriptors

Cross References