4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline

C17H21NS — CID 79007433

IUPAC4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(SC)cc1
InChIInChI=1S/C17H21NS/c1-3-15(13-14-7-5-4-6-8-14)18-16-9-11-17(19-2)12-10-16/h4-12,15,18H,3,13H2,1-2H3
InChIKeyXGMUTWRKFFMNPJ-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.84
Rot. Bonds6

About 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline

4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79007433) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
PubChem CID79007433
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(SC)cc1
InChIInChI=1S/C17H21NS/c1-3-15(13-14-7-5-4-6-8-14)18-16-9-11-17(19-2)12-10-16/h4-12,15,18H,3,13H2,1-2H3
InChIKeyXGMUTWRKFFMNPJ-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
CID 15533676
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
CID 79007599
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline (CID 79007433) is 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline is CCC(Cc1ccccc1)Nc1ccc(SC)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is XGMUTWRKFFMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-15(13-14-7-5-4-6-8-14)18-16-9-11-17(19-2)12-10-16/h4-12,15,18H,3,13H2,1-2H3.
What are the key properties of 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline?
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline has a molecular weight of 271.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79007433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).