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

C15H18N2 — CID 115124442

IUPAC2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2ccccc2N)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-13(12(2)9-11)10-17-15-6-4-3-5-14(15)16/h3-9,17H,10,16H2,1-2H3
InChIKeyPQCAXRYIARKZIG-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.50
Rot. Bonds3

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

2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115124442) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
PubChem CID115124442
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2ccccc2N)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-13(12(2)9-11)10-17-15-6-4-3-5-14(15)16/h3-9,17H,10,16H2,1-2H3
InChIKeyPQCAXRYIARKZIG-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.50
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-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115124450
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127074
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine (CID 115124442) is 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine is Cc1ccc(CNc2ccccc2N)c(C)c1.
What is the InChIKey of 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is PQCAXRYIARKZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-8-13(12(2)9-11)10-17-15-6-4-3-5-14(15)16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine?
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).