2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine

C17H21NS — CID 64621935

IUPAC2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CSc2ccccc2)cc1
InChIInChI=1S/C17H21NS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3
InChIKeyHMWLOWATYHISSC-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.60
Rot. Bonds5

About 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine

2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64621935) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64621935
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CSc2ccccc2)cc1
InChIInChI=1S/C17H21NS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3
InChIKeyHMWLOWATYHISSC-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-1-phenylsulfanylpentan-2-amine
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1-(furan-3-yl)-2-phenylsulfanylethanamine
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1-phenylsulfanylbutan-2-amine
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1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
1-phenylsulfanyl-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725826
2-methyl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 43530351
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine (CID 64621935) is 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HMWLOWATYHISSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3.
What are the key properties of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64621935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).