2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine

C14H20ClNS — CID 82931377

IUPAC2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
SMILESNCC(Sc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,16H2
InChIKeyMGELCQLFTQQMQM-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.34
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine

2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine (PubChem CID 82931377) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
PubChem CID82931377
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
SMILESNCC(Sc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,16H2
InChIKeyMGELCQLFTQQMQM-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
CID 82931065
2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
CID 82932342
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849
2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
CID 82931960
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
CID 63517410
2-cycloheptyl-2-cyclohexylsulfanylethanamine
CID 82931571

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine (CID 82931377) is 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine is NCC(Sc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine?
The InChIKey is MGELCQLFTQQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,16H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine?
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine has a molecular weight of 269.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine is sourced from PubChem (CID 82931377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).