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

C16H23N5 — CID 154369247

IUPAC4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine
SMILESCNc1c(N)ccc(N(C)Nc2ccccc2)c1N(C)C
InChIInChI=1S/C16H23N5/c1-18-15-13(17)10-11-14(16(15)20(2)3)21(4)19-12-8-6-5-7-9-12/h5-11,18-19H,17H2,1-4H3
InChIKeyRUNSYHJSGNUBQW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds5

About 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine

4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine (PubChem CID 154369247) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine
PubChem CID154369247
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine
SMILESCNc1c(N)ccc(N(C)Nc2ccccc2)c1N(C)C
InChIInChI=1S/C16H23N5/c1-18-15-13(17)10-11-14(16(15)20(2)3)21(4)19-12-8-6-5-7-9-12/h5-11,18-19H,17H2,1-4H3
InChIKeyRUNSYHJSGNUBQW-UHFFFAOYSA-N
XLogP2.84
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 141340029
1,1-dimethylhydrazine;phenylhydrazine
CID 161183537
2-[methyl(methylamino)amino]aniline
CID 89255912
CID 157283458
CID 157283458
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
4-chloro-3-methyl-2-N-phenylbenzene-1,2-diamine
CID 12930166
N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
CID 88517859
1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride
CID 175607443
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
aniline;N,N-dimethylmethanamine;hydrobromide
CID 173156030
benzene-1,2-diamine;N-methylmethanamine
CID 174458514

Frequently Asked Questions

What is the IUPAC name of 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine?
The IUPAC name of 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine (CID 154369247) is 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine.
What is the SMILES notation for 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine?
The canonical SMILES for 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine is CNc1c(N)ccc(N(C)Nc2ccccc2)c1N(C)C.
What is the InChIKey of 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine?
The InChIKey is RUNSYHJSGNUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-18-15-13(17)10-11-14(16(15)20(2)3)21(4)19-12-8-6-5-7-9-12/h5-11,18-19H,17H2,1-4H3.
What are the key properties of 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine?
4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino(methyl)amino]-2-N,3-N,3-N-trimethylbenzene-1,2,3-triamine is sourced from PubChem (CID 154369247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).