N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

C16H24FNS — CID 64735574

IUPACN-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C16H24FNS/c1-4-18-15-10-11(2)9-12(3)16(15)19-14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyKXMREAKVLDACSQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.33
Rot. Bonds4

About N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735574) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64735574
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C16H24FNS/c1-4-18-15-10-11(2)9-12(3)16(15)19-14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyKXMREAKVLDACSQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (CID 64735574) is N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KXMREAKVLDACSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-4-18-15-10-11(2)9-12(3)16(15)19-14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).