2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine

C16H20N2 — CID 115124450

IUPAC2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CNc2ccccc2N)c(C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)14(13(3)9-11)10-18-16-7-5-4-6-15(16)17/h4-9,18H,10,17H2,1-3H3
InChIKeyOGXQJJNWUQMVOD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.81
Rot. Bonds3

About 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine

2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115124450) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
PubChem CID115124450
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CNc2ccccc2N)c(C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)14(13(3)9-11)10-18-16-7-5-4-6-15(16)17/h4-9,18H,10,17H2,1-3H3
InChIKeyOGXQJJNWUQMVOD-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.81
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
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124548
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
CID 105223956

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine (CID 115124450) is 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine is Cc1cc(C)c(CNc2ccccc2N)c(C)c1.
What is the InChIKey of 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is OGXQJJNWUQMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-12(2)14(13(3)9-11)10-18-16-7-5-4-6-15(16)17/h4-9,18H,10,17H2,1-3H3.
What are the key properties of 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).