2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H24ClNS — CID 114792660

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNS/c1-3-18-15-9-4-12(2)10-16(15)19-11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyFEIGNBQXQKCZFK-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.74
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 114792660) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID114792660
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNS/c1-3-18-15-9-4-12(2)10-16(15)19-11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyFEIGNBQXQKCZFK-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-propylcyclooctan-1-amine
CID 114792663
2-benzylsulfanyl-N-ethylcyclohexan-1-amine
CID 64621977
2-benzylsulfanyl-N-ethylcyclooctan-1-amine
CID 64620030
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847
N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634179
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908122
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 114792660) is 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1SCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is FEIGNBQXQKCZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-3-18-15-9-4-12(2)10-16(15)19-11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 297.89 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114792660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).