2-methyl-3-phenylaniline

C13H13N — CID 10511683

IUPAC2-methyl-3-phenylaniline
SMILESCc1c(N)cccc1-c1ccccc1
InChIInChI=1S/C13H13N/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,14H2,1H3
InChIKeyWXVGZIZBMFJASZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-3-phenylaniline

2-methyl-3-phenylaniline (PubChem CID 10511683) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-3-phenylaniline.

Molecular Properties

Compound Name2-methyl-3-phenylaniline
PubChem CID10511683
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-methyl-3-phenylaniline
SMILESCc1c(N)cccc1-c1ccccc1
InChIInChI=1S/C13H13N/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,14H2,1H3
InChIKeyWXVGZIZBMFJASZ-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylaniline?
The IUPAC name of 2-methyl-3-phenylaniline (CID 10511683) is 2-methyl-3-phenylaniline.
What is the SMILES notation for 2-methyl-3-phenylaniline?
The canonical SMILES for 2-methyl-3-phenylaniline is Cc1c(N)cccc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylaniline?
The InChIKey is WXVGZIZBMFJASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,14H2,1H3.
What are the key properties of 2-methyl-3-phenylaniline?
2-methyl-3-phenylaniline has a molecular weight of 183.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylaniline is sourced from PubChem (CID 10511683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).