2-[(3-chlorophenyl)methyl-methylamino]acetonitrile

C10H11ClN2 — CID 60699809

IUPAC2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
SMILESCN(CC#N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-13(6-5-12)8-9-3-2-4-10(11)7-9/h2-4,7H,6,8H2,1H3
InChIKeyOVNTYBWDFTZHQN-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.30
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile

2-[(3-chlorophenyl)methyl-methylamino]acetonitrile (PubChem CID 60699809) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
PubChem CID60699809
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
SMILESCN(CC#N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2/c1-13(6-5-12)8-9-3-2-4-10(11)7-9/h2-4,7H,6,8H2,1H3
InChIKeyOVNTYBWDFTZHQN-UHFFFAOYSA-N
XLogP2.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 51086725
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
3-[(3-chlorophenyl)methyl-methylamino]pentanenitrile
CID 61413201
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile (CID 60699809) is 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile is CN(CC#N)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile?
The InChIKey is OVNTYBWDFTZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-13(6-5-12)8-9-3-2-4-10(11)7-9/h2-4,7H,6,8H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile?
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile has a molecular weight of 194.67 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]acetonitrile is sourced from PubChem (CID 60699809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).