4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine

C15H22FNS — CID 64620075

IUPAC4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ccccc2F)C1
InChIInChI=1S/C15H22FNS/c1-3-11-8-9-13(17-2)15(10-11)18-14-7-5-4-6-12(14)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyVUQQPOQPPAVXCQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.08
Rot. Bonds4

About 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine

4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine (PubChem CID 64620075) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
PubChem CID64620075
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ccccc2F)C1
InChIInChI=1S/C15H22FNS/c1-3-11-8-9-13(17-2)15(10-11)18-14-7-5-4-6-12(14)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyVUQQPOQPPAVXCQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64621640
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604505
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 66051356
2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64614545
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79862965

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine (CID 64620075) is 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Sc2ccccc2F)C1.
What is the InChIKey of 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The InChIKey is VUQQPOQPPAVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-11-8-9-13(17-2)15(10-11)18-14-7-5-4-6-12(14)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64620075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).