2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine

C13H13ClN2 — CID 15680100

IUPAC2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
SMILESNc1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9,15H2
InChIKeyNEXXSABNSYGLLU-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.53
Rot. Bonds3

About 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine

2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine (PubChem CID 15680100) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
PubChem CID15680100
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
SMILESNc1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9,15H2
InChIKeyNEXXSABNSYGLLU-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine
CID 176551649
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
4-bromo-2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 65343289
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
3-amino-4-[(4-chlorophenyl)methylamino]benzonitrile
CID 43517989
1-N-[(4-bromophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14953000
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
2-N-[(4-chlorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83001192
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine (CID 15680100) is 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine is Nc1ccccc1NCc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine?
The InChIKey is NEXXSABNSYGLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9,15H2.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine has a molecular weight of 232.71 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 15680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).