2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine

C15H19F4NS — CID 107288993

IUPAC2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSC1CCCCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H19F4NS/c16-13-8-10(6-7-12(13)15(17,18)19)14(20)9-21-11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,20H2
InChIKeyGRYCDANBZDQILN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.91
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine

2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107288993) has the molecular formula C15H19F4NS and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID107288993
Molecular FormulaC15H19F4NS
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSC1CCCCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H19F4NS/c16-13-8-10(6-7-12(13)15(17,18)19)14(20)9-21-11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,20H2
InChIKeyGRYCDANBZDQILN-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 65138818
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
CID 107288743
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 107291454

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine (CID 107288993) is 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine is NC(CSC1CCCCC1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GRYCDANBZDQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NS/c16-13-8-10(6-7-12(13)15(17,18)19)14(20)9-21-11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,20H2.
What are the key properties of 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 321.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107288993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).