3-(2-morpholin-4-ylethylamino)benzonitrile

C13H17N3O — CID 28581021

IUPAC3-(2-morpholin-4-ylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C13H17N3O/c14-11-12-2-1-3-13(10-12)15-4-5-16-6-8-17-9-7-16/h1-3,10,15H,4-9H2
InChIKeyMWCNSACEWHKGRT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds4

About 3-(2-morpholin-4-ylethylamino)benzonitrile

3-(2-morpholin-4-ylethylamino)benzonitrile (PubChem CID 28581021) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)benzonitrile
PubChem CID28581021
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2-morpholin-4-ylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C13H17N3O/c14-11-12-2-1-3-13(10-12)15-4-5-16-6-8-17-9-7-16/h1-3,10,15H,4-9H2
InChIKeyMWCNSACEWHKGRT-UHFFFAOYSA-N
XLogP1.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
3-(2-thiomorpholin-4-ylethylamino)benzonitrile
CID 106325499
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69181974
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 28581002
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115775
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)benzonitrile?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)benzonitrile (CID 28581021) is 3-(2-morpholin-4-ylethylamino)benzonitrile.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)benzonitrile?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)benzonitrile is N#Cc1cccc(NCCN2CCOCC2)c1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)benzonitrile?
The InChIKey is MWCNSACEWHKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-12-2-1-3-13(10-12)15-4-5-16-6-8-17-9-7-16/h1-3,10,15H,4-9H2.
What are the key properties of 3-(2-morpholin-4-ylethylamino)benzonitrile?
3-(2-morpholin-4-ylethylamino)benzonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)benzonitrile is sourced from PubChem (CID 28581021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).