3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine

C13H15N3 — CID 68786112

IUPAC3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1-c1ccc(N)cc1
InChIInChI=1S/C13H15N3/c1-16-13-11(3-2-4-12(13)15)9-5-7-10(14)8-6-9/h2-8,16H,14-15H2,1H3
InChIKeyXDHFFIGWFQMSQX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.56
Rot. Bonds2

About 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine

3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 68786112) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID68786112
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1-c1ccc(N)cc1
InChIInChI=1S/C13H15N3/c1-16-13-11(3-2-4-12(13)15)9-5-7-10(14)8-6-9/h2-8,16H,14-15H2,1H3
InChIKeyXDHFFIGWFQMSQX-UHFFFAOYSA-N
XLogP2.56
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Diaminobenzidine
CID 7071
N-(1-Naphthyl)ethylenediamine
CID 15107
N,N'-Di-o-tolylethylenediamine
CID 66759
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(3-Methylphenyl)benzenemethanamine
CID 222281
N-Methyl-1-naphthylamine
CID 16667
1-N-(4-methylphenyl)benzene-1,2-diamine
CID 2331656
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
N-benzyl-4-methylaniline
CID 79403
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine (CID 68786112) is 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine is CNc1c(N)cccc1-c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is XDHFFIGWFQMSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13-11(3-2-4-12(13)15)9-5-7-10(14)8-6-9/h2-8,16H,14-15H2,1H3.
What are the key properties of 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 68786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).