1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine

C16H24FNS — CID 63820015

IUPAC1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1SC1CCCCC1
InChIInChI=1S/C16H24FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h8-10,14-15H,2-7,11,18H2,1H3
InChIKeyYKQJBCOCDBTBLM-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.53
Rot. Bonds5

About 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine

1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine (PubChem CID 63820015) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
PubChem CID63820015
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1SC1CCCCC1
InChIInChI=1S/C16H24FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h8-10,14-15H,2-7,11,18H2,1H3
InChIKeyYKQJBCOCDBTBLM-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
CID 63817974
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine (CID 63820015) is 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine is CCC(N)Cc1cc(F)ccc1SC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine?
The InChIKey is YKQJBCOCDBTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h8-10,14-15H,2-7,11,18H2,1H3.
What are the key properties of 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine?
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine is sourced from PubChem (CID 63820015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).