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

C14H16N2 — CID 60903784

IUPAC2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccccc1CNc1ccccc1N
InChIInChI=1S/C14H16N2/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9,16H,10,15H2,1H3
InChIKeyMHGXYBDXVPPMGS-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.19
Rot. Bonds3

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

2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 60903784) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID60903784
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccccc1CNc1ccccc1N
InChIInChI=1S/C14H16N2/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9,16H,10,15H2,1H3
InChIKeyMHGXYBDXVPPMGS-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.19
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

2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115124450
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 66077026
2-[(2-methylanilino)methyl]phenol
CID 3240149
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (CID 60903784) is 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is Cc1ccccc1CNc1ccccc1N.
What is the InChIKey of 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is MHGXYBDXVPPMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9,16H,10,15H2,1H3.
What are the key properties of 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 60903784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).