2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile

C15H14ClN3 — CID 62497687

IUPAC2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
SMILESCN(Cc1ccccc1N)c1cccc(Cl)c1C#N
InChIInChI=1S/C15H14ClN3/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(16)12(15)9-17/h2-8H,10,18H2,1H3
InChIKeyXXFLGXQMNGVFGH-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.43
Rot. Bonds3

About 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile

2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile (PubChem CID 62497687) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
PubChem CID62497687
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
SMILESCN(Cc1ccccc1N)c1cccc(Cl)c1C#N
InChIInChI=1S/C15H14ClN3/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(16)12(15)9-17/h2-8H,10,18H2,1H3
InChIKeyXXFLGXQMNGVFGH-UHFFFAOYSA-N
XLogP3.43
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 60678010
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-chlorobenzonitrile
CID 79652568
2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55161481
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231
2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile (CID 62497687) is 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile is CN(Cc1ccccc1N)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile?
The InChIKey is XXFLGXQMNGVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(16)12(15)9-17/h2-8H,10,18H2,1H3.
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile?
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile has a molecular weight of 271.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile is sourced from PubChem (CID 62497687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).