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

C13H15N3 — CID 86253618

IUPAC2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C13H15N3/c1-16(12-8-4-2-6-10(12)14)13-9-5-3-7-11(13)15/h2-9H,14-15H2,1H3
InChIKeyMYGAPUGFGHVUDA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.62
Rot. Bonds2

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

2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 86253618) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID86253618
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C13H15N3/c1-16(12-8-4-2-6-10(12)14)13-9-5-3-7-11(13)15/h2-9H,14-15H2,1H3
InChIKeyMYGAPUGFGHVUDA-UHFFFAOYSA-N
XLogP2.62
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
2-[methyl(methylamino)amino]aniline
CID 89255912
2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine
CID 115124427
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
CID 89187300
CID 23545833
CID 23545833
2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115124335
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
CID 114281251
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine (CID 86253618) is 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine is CN(c1ccccc1N)c1ccccc1N.
What is the InChIKey of 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is MYGAPUGFGHVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(12-8-4-2-6-10(12)14)13-9-5-3-7-11(13)15/h2-9H,14-15H2,1H3.
What are the key properties of 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine?
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 86253618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).