1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine

C16H24ClNS — CID 63538085

IUPAC1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNS/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
InChIKeyKOKORJXQOLSGGL-UHFFFAOYSA-N
MW297.89 g/mol
LogP5.18
Rot. Bonds5

About 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine

1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine (PubChem CID 63538085) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
PubChem CID63538085
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNS/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
InChIKeyKOKORJXQOLSGGL-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.89
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688
1-(3-bromophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538084
1-(3-chlorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325832
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
3-[2-amino-1-(3-chlorophenyl)butyl]sulfanylbutan-2-ol
CID 107770431
1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
CID 63115035
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
2-cyclohexylsulfanyl-1-phenylbutan-1-amine
CID 64632648
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
CID 55176547
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine (CID 63538085) is 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine is CCC(N)C(SC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine?
The InChIKey is KOKORJXQOLSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/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-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine?
1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine has a molecular weight of 297.89 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine is sourced from PubChem (CID 63538085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).