2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile

C14H18ClN3O — CID 82019873

IUPAC2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile
SMILESN#CC(NCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-4-2-1-3-12(13)14(11-16)17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-10H2
InChIKeyOGYSBESWWTUMNW-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile

2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile (PubChem CID 82019873) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile
PubChem CID82019873
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile
SMILESN#CC(NCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-4-2-1-3-12(13)14(11-16)17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-10H2
InChIKeyOGYSBESWWTUMNW-UHFFFAOYSA-N
XLogP1.83
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111054780
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416341
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine
CID 21149892
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile (CID 82019873) is 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile is N#CC(NCCN1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile?
The InChIKey is OGYSBESWWTUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-4-2-1-3-12(13)14(11-16)17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-10H2.
What are the key properties of 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile?
2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile has a molecular weight of 279.77 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)acetonitrile is sourced from PubChem (CID 82019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).