2-methyl-N-phenylaniline

C13H13N — CID 10986946

IUPAC2-methyl-N-phenylaniline
SMILESCc1ccccc1Nc1ccccc1
InChIInChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyJTMODJXOTWYBOZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-N-phenylaniline

2-methyl-N-phenylaniline (PubChem CID 10986946) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-N-phenylaniline
PubChem CID10986946
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-methyl-N-phenylaniline
SMILESCc1ccccc1Nc1ccccc1
InChIInChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyJTMODJXOTWYBOZ-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 2-methyl-N-phenylaniline?
The IUPAC name of 2-methyl-N-phenylaniline (CID 10986946) is 2-methyl-N-phenylaniline.
What is the SMILES notation for 2-methyl-N-phenylaniline?
The canonical SMILES for 2-methyl-N-phenylaniline is Cc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylaniline?
The InChIKey is JTMODJXOTWYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3.
What are the key properties of 2-methyl-N-phenylaniline?
2-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 2-methyl-N-phenylaniline is sourced from PubChem (CID 10986946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).