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

C14H12ClN3 — CID 55079654

IUPAC2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccccc1N
InChIInChI=1S/C14H12ClN3/c15-12-5-3-7-14(11(12)8-16)18-9-10-4-1-2-6-13(10)17/h1-7,18H,9,17H2
InChIKeyLUVVFYGGUKHQHB-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.41
Rot. Bonds3

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

2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile (PubChem CID 55079654) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
PubChem CID55079654
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccccc1N
InChIInChI=1S/C14H12ClN3/c15-12-5-3-7-14(11(12)8-16)18-9-10-4-1-2-6-13(10)17/h1-7,18H,9,17H2
InChIKeyLUVVFYGGUKHQHB-UHFFFAOYSA-N
XLogP3.41
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroanilino)methyl]aniline
CID 66387029
2-chloro-6-(furan-2-ylmethylamino)benzonitrile
CID 60678752
2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-chlorobenzonitrile
CID 79523799
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
2-chloro-6-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669738
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile?
The IUPAC name of 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile (CID 55079654) is 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1NCc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile?
The InChIKey is LUVVFYGGUKHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-5-3-7-14(11(12)8-16)18-9-10-4-1-2-6-13(10)17/h1-7,18H,9,17H2.
What are the key properties of 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile?
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile is sourced from PubChem (CID 55079654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).