4-methyl-N-phenylaniline

C13H13N — CID 12109

IUPAC4-methyl-N-phenylaniline
SMILESCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyAGHYMXKKEXDUTA-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.74
Rot. Bonds2

About 4-methyl-N-phenylaniline

4-methyl-N-phenylaniline (PubChem CID 12109) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-methyl-N-phenylaniline
PubChem CID12109
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4-methyl-N-phenylaniline
SMILESCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyAGHYMXKKEXDUTA-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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Related Compounds

Diphenylamine
CID 11487
4,4-Diaminodiphenylmethane
CID 7577
Dimethyl-p-toluidine
CID 7471
N-Phenyl-p-phenylenediamine
CID 7564
p-Toluidine
CID 7813
N-phenyl-2-naphthylamine
CID 8679
4-Aminobiphenyl
CID 7102
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Dibenz(b,f)azepine
CID 9212
4-Methylacetanilide
CID 7684
N-Acetyl-4-aminobiphenyl
CID 19998
Iminodibenyl
CID 10308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylaniline?
The IUPAC name of 4-methyl-N-phenylaniline (CID 12109) is 4-methyl-N-phenylaniline.
What is the SMILES notation for 4-methyl-N-phenylaniline?
The canonical SMILES for 4-methyl-N-phenylaniline is Cc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-phenylaniline?
The InChIKey is AGHYMXKKEXDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of 4-methyl-N-phenylaniline?
4-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 4-methyl-N-phenylaniline is sourced from PubChem (CID 12109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).