2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline

C18H23NS — CID 63453526

IUPAC2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
SMILESCCSc1ccccc1NC(C)CCc1ccccc1
InChIInChI=1S/C18H23NS/c1-3-20-18-12-8-7-11-17(18)19-15(2)13-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyCHNALTKHABYEFV-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.23
Rot. Bonds7

About 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline

2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 63453526) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID63453526
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
SMILESCCSc1ccccc1NC(C)CCc1ccccc1
InChIInChI=1S/C18H23NS/c1-3-20-18-12-8-7-11-17(18)19-15(2)13-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyCHNALTKHABYEFV-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115929080
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
1-(4-phenylbutan-2-ylamino)-4-(propan-2-ylamino)anthracene-9,10-dione
CID 22956631
4-phenylbutan-2-ylhydrazine
CID 28622

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline (CID 63453526) is 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline is CCSc1ccccc1NC(C)CCc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is CHNALTKHABYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-20-18-12-8-7-11-17(18)19-15(2)13-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline?
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 285.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 63453526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).