2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile

C12H14ClN3 — CID 121209820

IUPAC2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile
SMILESCNC1CN(C(C#N)c2ccccc2Cl)C1
InChIInChI=1S/C12H14ClN3/c1-15-9-7-16(8-9)12(6-14)10-4-2-3-5-11(10)13/h2-5,9,12,15H,7-8H2,1H3
InChIKeyHXLYCNPCBZBYTB-UHFFFAOYSA-N
MW235.72 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile

2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile (PubChem CID 121209820) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile
PubChem CID121209820
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile
SMILESCNC1CN(C(C#N)c2ccccc2Cl)C1
InChIInChI=1S/C12H14ClN3/c1-15-9-7-16(8-9)12(6-14)10-4-2-3-5-11(10)13/h2-5,9,12,15H,7-8H2,1H3
InChIKeyHXLYCNPCBZBYTB-UHFFFAOYSA-N
XLogP1.81
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)-cyanomethyl]piperidine-3-carboxylic acid
CID 84756638
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 121209842
2-(2-chlorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110350035
2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
CID 84756695
[(1S)-1-(2-chlorophenyl)ethyl]cyanamide
CID 81378997
[(1R)-1-(2-chlorophenyl)ethyl]cyanamide
CID 81378616
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile
CID 43802860
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
2-(2-chlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 82511749

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile (CID 121209820) is 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile is CNC1CN(C(C#N)c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile?
The InChIKey is HXLYCNPCBZBYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-15-9-7-16(8-9)12(6-14)10-4-2-3-5-11(10)13/h2-5,9,12,15H,7-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile?
2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile has a molecular weight of 235.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile is sourced from PubChem (CID 121209820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).