2-[(2-chlorophenyl)methyl-methylamino]propanenitrile

C11H13ClN2 — CID 60646463

IUPAC2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2/c1-9(7-13)14(2)8-10-5-3-4-6-11(10)12/h3-6,9H,8H2,1-2H3
InChIKeyZZIWHLJMYCIHQX-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile

2-[(2-chlorophenyl)methyl-methylamino]propanenitrile (PubChem CID 60646463) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
PubChem CID60646463
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2/c1-9(7-13)14(2)8-10-5-3-4-6-11(10)12/h3-6,9H,8H2,1-2H3
InChIKeyZZIWHLJMYCIHQX-UHFFFAOYSA-N
XLogP2.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]propanenitrile
CID 55207540
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 62047660
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]propanenitrile
CID 115130338
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile (CID 60646463) is 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile is CC(C#N)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile?
The InChIKey is ZZIWHLJMYCIHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-9(7-13)14(2)8-10-5-3-4-6-11(10)12/h3-6,9H,8H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile?
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile has a molecular weight of 208.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]propanenitrile is sourced from PubChem (CID 60646463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).