2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine

C16H24ClNS — CID 66144370

IUPAC2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(N)CSc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-6,11-13,16H,7-10,18H2,1-2H3
InChIKeyZTASKAXORPZDGQ-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine

2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine (PubChem CID 66144370) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
PubChem CID66144370
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(N)CSc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-6,11-13,16H,7-10,18H2,1-2H3
InChIKeyZTASKAXORPZDGQ-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623206
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66070153
2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64729510
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
1-(4-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79177310
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
(3S,5S)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-3,5-dimethylpiperidin-1-ium
CID 2183575
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine (CID 66144370) is 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine is CC1CC(C)CC(C(N)CSc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine?
The InChIKey is ZTASKAXORPZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-6,11-13,16H,7-10,18H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine has a molecular weight of 297.89 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 66144370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).