3-methyl-5-phenylbenzene-1,2-diamine

C13H14N2 — CID 67211058

IUPAC3-methyl-5-phenylbenzene-1,2-diamine
SMILESCc1cc(-c2ccccc2)cc(N)c1N
InChIInChI=1S/C13H14N2/c1-9-7-11(8-12(14)13(9)15)10-5-3-2-4-6-10/h2-8H,14-15H2,1H3
InChIKeyZRZQJJPBEFIWNJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.83
Rot. Bonds1

About 3-methyl-5-phenylbenzene-1,2-diamine

3-methyl-5-phenylbenzene-1,2-diamine (PubChem CID 67211058) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-5-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-5-phenylbenzene-1,2-diamine
PubChem CID67211058
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-methyl-5-phenylbenzene-1,2-diamine
SMILESCc1cc(-c2ccccc2)cc(N)c1N
InChIInChI=1S/C13H14N2/c1-9-7-11(8-12(14)13(9)15)10-5-3-2-4-6-10/h2-8H,14-15H2,1H3
InChIKeyZRZQJJPBEFIWNJ-UHFFFAOYSA-N
XLogP2.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.83
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 3-methyl-5-phenylbenzene-1,2-diamine?
The IUPAC name of 3-methyl-5-phenylbenzene-1,2-diamine (CID 67211058) is 3-methyl-5-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3-methyl-5-phenylbenzene-1,2-diamine?
The canonical SMILES for 3-methyl-5-phenylbenzene-1,2-diamine is Cc1cc(-c2ccccc2)cc(N)c1N.
What is the InChIKey of 3-methyl-5-phenylbenzene-1,2-diamine?
The InChIKey is ZRZQJJPBEFIWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-7-11(8-12(14)13(9)15)10-5-3-2-4-6-10/h2-8H,14-15H2,1H3.
What are the key properties of 3-methyl-5-phenylbenzene-1,2-diamine?
3-methyl-5-phenylbenzene-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylbenzene-1,2-diamine is sourced from PubChem (CID 67211058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).