3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine

C16H22N4 — CID 141340029

IUPAC3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCNc1cccc(N(C)Nc2ccccc2)c1N(C)C
InChIInChI=1S/C16H22N4/c1-17-14-11-8-12-15(16(14)19(2)3)20(4)18-13-9-6-5-7-10-13/h5-12,17-18H,1-4H3
InChIKeyKCYNACFREFJPLO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds5

About 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine

3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine (PubChem CID 141340029) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine
PubChem CID141340029
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCNc1cccc(N(C)Nc2ccccc2)c1N(C)C
InChIInChI=1S/C16H22N4/c1-17-14-11-8-12-15(16(14)19(2)3)20(4)18-13-9-6-5-7-10-13/h5-12,17-18H,1-4H3
InChIKeyKCYNACFREFJPLO-UHFFFAOYSA-N
XLogP3.26
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine
CID 154369247
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
1-N,2-N-dimethyl-2-N-[2-(methylamino)phenyl]benzene-1,2-diamine
CID 22968799
2-(dimethylamino)-6-(methylamino)benzoic acid
CID 18173452
2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
CID 158394511
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
CID 157283458
CID 157283458
1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea
CID 54120941
N,N-dimethylmethanamine;N-silylaniline
CID 174790338
N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
CID 157167621
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 161139066
1-N,2-N,3-trimethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 144839096

Frequently Asked Questions

What is the IUPAC name of 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The IUPAC name of 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine (CID 141340029) is 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The canonical SMILES for 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine is CNc1cccc(N(C)Nc2ccccc2)c1N(C)C.
What is the InChIKey of 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The InChIKey is KCYNACFREFJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-17-14-11-8-12-15(16(14)19(2)3)20(4)18-13-9-6-5-7-10-13/h5-12,17-18H,1-4H3.
What are the key properties of 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine is sourced from PubChem (CID 141340029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).