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

C13H15N3 — CID 68788590

IUPAC4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(-c2cccc(N)c2)cc1N
InChIInChI=1S/C13H15N3/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8,16H,14-15H2,1H3
InChIKeyHUODZYWZPRBBSC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.56
Rot. Bonds2

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

4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 68788590) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
PubChem CID68788590
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(-c2cccc(N)c2)cc1N
InChIInChI=1S/C13H15N3/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8,16H,14-15H2,1H3
InChIKeyHUODZYWZPRBBSC-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine (CID 68788590) is 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine is CNc1ccc(-c2cccc(N)c2)cc1N.
What is the InChIKey of 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is HUODZYWZPRBBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8,16H,14-15H2,1H3.
What are the key properties of 4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine?
4-(3-aminophenyl)-1-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-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 68788590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).