1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine

C16H24FNS — CID 55019688

IUPAC1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(SC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNS/c1-2-15(18)16(12-7-6-8-13(17)11-12)19-14-9-4-3-5-10-14/h6-8,11,14-16H,2-5,9-10,18H2,1H3
InChIKeyZHKAMTSTJYSOPW-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.67
Rot. Bonds5

About 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine

1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine (PubChem CID 55019688) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
PubChem CID55019688
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(SC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNS/c1-2-15(18)16(12-7-6-8-13(17)11-12)19-14-9-4-3-5-10-14/h6-8,11,14-16H,2-5,9-10,18H2,1H3
InChIKeyZHKAMTSTJYSOPW-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538085
1-(3-bromophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538084
1-butylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019445
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
CID 63115035
1-(3-chlorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325832
1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 62304287
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
1-[(2-chlorophenyl)methylsulfanyl]-1-(3-fluorophenyl)butan-2-amine
CID 103288430
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine (CID 55019688) is 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine is CCC(N)C(SC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is ZHKAMTSTJYSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-2-15(18)16(12-7-6-8-13(17)11-12)19-14-9-4-3-5-10-14/h6-8,11,14-16H,2-5,9-10,18H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine?
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 55019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).