1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol

C15H22ClNOS — CID 103776488

IUPAC1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol
SMILESCSC1CCCCC1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNOS/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h6-9,13-15,17-18H,2-5,10H2,1H3
InChIKeyRYDXJMKHZRWCRY-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol

1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol (PubChem CID 103776488) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol
PubChem CID103776488
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol
SMILESCSC1CCCCC1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNOS/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h6-9,13-15,17-18H,2-5,10H2,1H3
InChIKeyRYDXJMKHZRWCRY-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81301234
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
1-(4-methylphenyl)-2-[[(1R,2R)-2-methylsulfonylcyclohexyl]amino]ethanol
CID 167775469
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol (CID 103776488) is 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol is CSC1CCCCC1NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol?
The InChIKey is RYDXJMKHZRWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h6-9,13-15,17-18H,2-5,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol?
1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol has a molecular weight of 299.87 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol is sourced from PubChem (CID 103776488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).