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

C13H15N3 — CID 68785076

IUPAC4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C13H15N3/c1-16-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8,16H,14-15H2,1H3
InChIKeyJJBTZDJWMUSYGM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.56
Rot. Bonds2

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

4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 68785076) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID68785076
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C13H15N3/c1-16-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8,16H,14-15H2,1H3
InChIKeyJJBTZDJWMUSYGM-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

2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
CID 167284954
2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 175847129
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
5-(4-aminophenyl)-2-methylaniline
CID 68788638
2-amino-5-(4-aminophenyl)benzenethiol
CID 116994217
4-(4-aminophenyl)-2-methylaniline;isocyanic acid
CID 175201800
4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
CID 68788590
4-(aminomethyl)-2-N-methylbenzene-1,2-diamine
CID 89230941
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-(4-amino-3-methylphenyl)-2-methylaniline;carbanide;ethane;4-methylaniline;yttrium
CID 159328687
4-(4-aminophenyl)-2-(methyldiazenyl)aniline
CID 70286516

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine (CID 68785076) is 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine is CNc1cc(-c2ccc(N)cc2)ccc1N.
What is the InChIKey of 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is JJBTZDJWMUSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8,16H,14-15H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine?
4-(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 4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 68785076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).