[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine

C15H22ClNS — CID 63404764

IUPAC[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNS/c1-2-11-6-7-12(10-17)15(8-11)18-14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,2,6-8,10,17H2,1H3
InChIKeyPIJLWTYBSWOXMP-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.59
Rot. Bonds4

About [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine

[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine (PubChem CID 63404764) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
PubChem CID63404764
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNS/c1-2-11-6-7-12(10-17)15(8-11)18-14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,2,6-8,10,17H2,1H3
InChIKeyPIJLWTYBSWOXMP-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
CID 43530342
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
[2-(4-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43530264
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64613900
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
2-(3-chlorophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64632525
5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79863189
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 63404568
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
CID 43530010

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine (CID 63404764) is [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Sc2cccc(Cl)c2)C1.
What is the InChIKey of [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The InChIKey is PIJLWTYBSWOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-2-11-6-7-12(10-17)15(8-11)18-14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,2,6-8,10,17H2,1H3.
What are the key properties of [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine has a molecular weight of 283.87 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 63404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).