1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine

C15H22ClNS — CID 55238553

IUPAC1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1SC1CCCCC1
InChIInChI=1S/C15H22ClNS/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3
InChIKeyPKPAOEPLVXKWAA-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.65
Rot. Bonds4

About 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine

1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine (PubChem CID 55238553) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
PubChem CID55238553
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1SC1CCCCC1
InChIInChI=1S/C15H22ClNS/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3
InChIKeyPKPAOEPLVXKWAA-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
CID 62720819
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818585
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324
1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine (CID 55238553) is 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine is CC(N)Cc1c(Cl)cccc1SC1CCCCC1.
What is the InChIKey of 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine?
The InChIKey is PKPAOEPLVXKWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3.
What are the key properties of 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine?
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine has a molecular weight of 283.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 55238553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).