3-methyl-4-methylsulfanyl-N,N-diphenylaniline

C20H19NS — CID 91304836

IUPAC3-methyl-4-methylsulfanyl-N,N-diphenylaniline
SMILESCSc1ccc(N(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C20H19NS/c1-16-15-19(13-14-20(16)22-2)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyWNLLLMPJGDCVES-UHFFFAOYSA-N
MW305.45 g/mol
LogP6.19
Rot. Bonds4

About 3-methyl-4-methylsulfanyl-N,N-diphenylaniline

3-methyl-4-methylsulfanyl-N,N-diphenylaniline (PubChem CID 91304836) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-N,N-diphenylaniline.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-N,N-diphenylaniline
PubChem CID91304836
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name3-methyl-4-methylsulfanyl-N,N-diphenylaniline
SMILESCSc1ccc(N(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C20H19NS/c1-16-15-19(13-14-20(16)22-2)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyWNLLLMPJGDCVES-UHFFFAOYSA-N
XLogP6.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
N-ethyl-N-[1-(3-methyl-4-methylsulfanylphenoxy)ethyl]aniline
CID 21407430
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonic acid
CID 90380774
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
CID 174072205
CID 174072205
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-N,N-diphenylaniline?
The IUPAC name of 3-methyl-4-methylsulfanyl-N,N-diphenylaniline (CID 91304836) is 3-methyl-4-methylsulfanyl-N,N-diphenylaniline.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-N,N-diphenylaniline?
The canonical SMILES for 3-methyl-4-methylsulfanyl-N,N-diphenylaniline is CSc1ccc(N(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of 3-methyl-4-methylsulfanyl-N,N-diphenylaniline?
The InChIKey is WNLLLMPJGDCVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-16-15-19(13-14-20(16)22-2)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanyl-N,N-diphenylaniline?
3-methyl-4-methylsulfanyl-N,N-diphenylaniline has a molecular weight of 305.45 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-N,N-diphenylaniline is sourced from PubChem (CID 91304836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).