3,5-dimethyl-N,N-diphenylaniline

C20H19N — CID 10516410

IUPAC3,5-dimethyl-N,N-diphenylaniline
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19N/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyLALSDZUUMUYHPO-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.77
Rot. Bonds3

About 3,5-dimethyl-N,N-diphenylaniline

3,5-dimethyl-N,N-diphenylaniline (PubChem CID 10516410) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-diphenylaniline.

Molecular Properties

Compound Name3,5-dimethyl-N,N-diphenylaniline
PubChem CID10516410
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name3,5-dimethyl-N,N-diphenylaniline
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19N/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyLALSDZUUMUYHPO-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
2-N,6-N-bis(3,5-dimethylphenyl)-9,10-diethyl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869113
4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
CID 132519467
9,10-ditert-butyl-2-N,6-N-bis(3,5-dimethylphenyl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869129
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-diphenylaniline?
The IUPAC name of 3,5-dimethyl-N,N-diphenylaniline (CID 10516410) is 3,5-dimethyl-N,N-diphenylaniline.
What is the SMILES notation for 3,5-dimethyl-N,N-diphenylaniline?
The canonical SMILES for 3,5-dimethyl-N,N-diphenylaniline is Cc1cc(C)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-N,N-diphenylaniline?
The InChIKey is LALSDZUUMUYHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3.
What are the key properties of 3,5-dimethyl-N,N-diphenylaniline?
3,5-dimethyl-N,N-diphenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-diphenylaniline is sourced from PubChem (CID 10516410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).