1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

C17H26FNS — CID 66051356

IUPAC1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCCC1CCC(C(CSc2ccccc2F)NC)CC1
InChIInChI=1S/C17H26FNS/c1-3-13-8-10-14(11-9-13)16(19-2)12-20-17-7-5-4-6-15(17)18/h4-7,13-14,16,19H,3,8-12H2,1-2H3
InChIKeyKFDRLFWPSOGLRG-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66051356) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66051356
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCCC1CCC(C(CSc2ccccc2F)NC)CC1
InChIInChI=1S/C17H26FNS/c1-3-13-8-10-14(11-9-13)16(19-2)12-20-17-7-5-4-6-15(17)18/h4-7,13-14,16,19H,3,8-12H2,1-2H3
InChIKeyKFDRLFWPSOGLRG-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (CID 66051356) is 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is CCC1CCC(C(CSc2ccccc2F)NC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is KFDRLFWPSOGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-3-13-8-10-14(11-9-13)16(19-2)12-20-17-7-5-4-6-15(17)18/h4-7,13-14,16,19H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 295.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66051356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).