N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine

C18H28FNS — CID 66066110

IUPACN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(F)cc1)C1CCCC(CC)C1
InChIInChI=1S/C18H28FNS/c1-3-14-6-5-7-15(12-14)18(20-4-2)13-21-17-10-8-16(19)9-11-17/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3
InChIKeyKSLIEIACKVGJOH-UHFFFAOYSA-N
MW309.49 g/mol
LogP5.11
Rot. Bonds7

About N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine

N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 66066110) has the molecular formula C18H28FNS and a molecular weight of 309.49 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID66066110
Molecular FormulaC18H28FNS
Molecular Weight309.49 g/mol
Exact Mass309.19
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(F)cc1)C1CCCC(CC)C1
InChIInChI=1S/C18H28FNS/c1-3-14-6-5-7-15(12-14)18(20-4-2)13-21-17-10-8-16(19)9-11-17/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3
InChIKeyKSLIEIACKVGJOH-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066304
[1-(3-ethylcyclohexyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236932
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135592
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
N-ethyl-1-(3-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 65415760
1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072435
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
N-ethyl-1-(3-ethylcyclohexyl)-2-(furan-2-yl)ethanamine
CID 83176158
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine (CID 66066110) is N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine is CCNC(CSc1ccc(F)cc1)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is KSLIEIACKVGJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNS/c1-3-14-6-5-7-15(12-14)18(20-4-2)13-21-17-10-8-16(19)9-11-17/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 309.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66066110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).