N,2-dimethyl-N,3-diphenylaniline

C20H19N — CID 54080390

IUPACN,2-dimethyl-N,3-diphenylaniline
SMILESCc1c(-c2ccccc2)cccc1N(C)c1ccccc1
InChIInChI=1S/C20H19N/c1-16-19(17-10-5-3-6-11-17)14-9-15-20(16)21(2)18-12-7-4-8-13-18/h3-15H,1-2H3
InChIKeyMMRMDGHCNJTCMV-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.43
Rot. Bonds3

About N,2-dimethyl-N,3-diphenylaniline

N,2-dimethyl-N,3-diphenylaniline (PubChem CID 54080390) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N,2-dimethyl-N,3-diphenylaniline.

Molecular Properties

Compound NameN,2-dimethyl-N,3-diphenylaniline
PubChem CID54080390
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN,2-dimethyl-N,3-diphenylaniline
SMILESCc1c(-c2ccccc2)cccc1N(C)c1ccccc1
InChIInChI=1S/C20H19N/c1-16-19(17-10-5-3-6-11-17)14-9-15-20(16)21(2)18-12-7-4-8-13-18/h3-15H,1-2H3
InChIKeyMMRMDGHCNJTCMV-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline
CID 70423976
2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one
CID 15090544
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
N-methyl-N,2-bis(4-phenylphenyl)aniline;propane
CID 145370298
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
1-N,3-N-bis(2-methyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062810
N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
CID 144911514
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N,3-diphenylaniline?
The IUPAC name of N,2-dimethyl-N,3-diphenylaniline (CID 54080390) is N,2-dimethyl-N,3-diphenylaniline.
What is the SMILES notation for N,2-dimethyl-N,3-diphenylaniline?
The canonical SMILES for N,2-dimethyl-N,3-diphenylaniline is Cc1c(-c2ccccc2)cccc1N(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N,3-diphenylaniline?
The InChIKey is MMRMDGHCNJTCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-16-19(17-10-5-3-6-11-17)14-9-15-20(16)21(2)18-12-7-4-8-13-18/h3-15H,1-2H3.
What are the key properties of N,2-dimethyl-N,3-diphenylaniline?
N,2-dimethyl-N,3-diphenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N,3-diphenylaniline is sourced from PubChem (CID 54080390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).