3-methyl-N-phenylaniline

C13H13N — CID 14569

IUPAC3-methyl-N-phenylaniline
SMILESCc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyTWPMMLHBHPYSMT-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.74
Rot. Bonds2

About 3-methyl-N-phenylaniline

3-methyl-N-phenylaniline (PubChem CID 14569) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methyl-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-phenylaniline
PubChem CID14569
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-methyl-N-phenylaniline
SMILESCc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyTWPMMLHBHPYSMT-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenylaniline?
The IUPAC name of 3-methyl-N-phenylaniline (CID 14569) is 3-methyl-N-phenylaniline.
What is the SMILES notation for 3-methyl-N-phenylaniline?
The canonical SMILES for 3-methyl-N-phenylaniline is Cc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-phenylaniline?
The InChIKey is TWPMMLHBHPYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3.
What are the key properties of 3-methyl-N-phenylaniline?
3-methyl-N-phenylaniline has a molecular weight of 183.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenylaniline is sourced from PubChem (CID 14569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).