1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

C12H12Cl2N2 — CID 116958075

IUPAC1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1(C#N)CC1
InChIInChI=1S/C12H12Cl2N2/c1-16-11(12(7-15)4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,11,16H,4-5H2,1H3
InChIKeyFABPUGNIKWPPRH-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.56
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 116958075) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID116958075
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1(C#N)CC1
InChIInChI=1S/C12H12Cl2N2/c1-16-11(12(7-15)4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,11,16H,4-5H2,1H3
InChIKeyFABPUGNIKWPPRH-UHFFFAOYSA-N
XLogP3.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile 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-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961270
1-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116958064
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024
1-[(2-chloro-5-fluoro-4-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958109
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
1-[methylamino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116958066
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958693
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696
1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958028
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (CID 116958075) is 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is CNC(c1ccc(Cl)c(Cl)c1)C1(C#N)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is FABPUGNIKWPPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-16-11(12(7-15)4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,11,16H,4-5H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 255.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116958075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).