4-methyl-N,N-diphenylaniline

C19H17N — CID 11299928

IUPAC4-methyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyIULUNTXBHHKFFR-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.46
Rot. Bonds3

About 4-methyl-N,N-diphenylaniline

4-methyl-N,N-diphenylaniline (PubChem CID 11299928) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-methyl-N,N-diphenylaniline
PubChem CID11299928
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name4-methyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyIULUNTXBHHKFFR-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7471
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Gentian violet cation
CID 3468
N-Ethyl-N-benzylaniline
CID 7098
Malachite green cation
CID 11295
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-(3-Methylphenyl)aniline
CID 14569
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
C.I. Solvent Violet 8
CID 164877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenylaniline?
The IUPAC name of 4-methyl-N,N-diphenylaniline (CID 11299928) is 4-methyl-N,N-diphenylaniline.
What is the SMILES notation for 4-methyl-N,N-diphenylaniline?
The canonical SMILES for 4-methyl-N,N-diphenylaniline is Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N,N-diphenylaniline?
The InChIKey is IULUNTXBHHKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-methyl-N,N-diphenylaniline?
4-methyl-N,N-diphenylaniline has a molecular weight of 259.35 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenylaniline is sourced from PubChem (CID 11299928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).