1-N-methyl-4-phenylbenzene-1,3-diamine

C13H14N2 — CID 68787466

IUPAC1-N-methyl-4-phenylbenzene-1,3-diamine
SMILESCNc1ccc(-c2ccccc2)c(N)c1
InChIInChI=1S/C13H14N2/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,15H,14H2,1H3
InChIKeyOSJZPYHLGIHYSG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.98
Rot. Bonds2

About 1-N-methyl-4-phenylbenzene-1,3-diamine

1-N-methyl-4-phenylbenzene-1,3-diamine (PubChem CID 68787466) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-N-methyl-4-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-4-phenylbenzene-1,3-diamine
PubChem CID68787466
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-N-methyl-4-phenylbenzene-1,3-diamine
SMILESCNc1ccc(-c2ccccc2)c(N)c1
InChIInChI=1S/C13H14N2/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,15H,14H2,1H3
InChIKeyOSJZPYHLGIHYSG-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N-methyl-4-phenylbenzene-1,3-diamine (CID 68787466) is 1-N-methyl-4-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-methyl-4-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-methyl-4-phenylbenzene-1,3-diamine is CNc1ccc(-c2ccccc2)c(N)c1.
What is the InChIKey of 1-N-methyl-4-phenylbenzene-1,3-diamine?
The InChIKey is OSJZPYHLGIHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,15H,14H2,1H3.
What are the key properties of 1-N-methyl-4-phenylbenzene-1,3-diamine?
1-N-methyl-4-phenylbenzene-1,3-diamine has a molecular weight of 198.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-phenylbenzene-1,3-diamine is sourced from PubChem (CID 68787466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).