1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine

C16H24FNS — CID 66070153

IUPAC1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCC1CCC(C(N)CSc2ccc(F)cc2)CC1C
InChIInChI=1S/C16H24FNS/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h5-8,11-13,16H,3-4,9-10,18H2,1-2H3
InChIKeyIJTNWBQTGGSVAR-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.32
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine

1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 66070153) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID66070153
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCC1CCC(C(N)CSc2ccc(F)cc2)CC1C
InChIInChI=1S/C16H24FNS/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h5-8,11-13,16H,3-4,9-10,18H2,1-2H3
InChIKeyIJTNWBQTGGSVAR-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene
CID 174725245
[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine
CID 105228166
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
CID 65138768
2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
CID 66144370
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 64739642
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine (CID 66070153) is 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine is CC1CCC(C(N)CSc2ccc(F)cc2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is IJTNWBQTGGSVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-11-3-4-13(9-12(11)2)16(18)10-19-15-7-5-14(17)6-8-15/h5-8,11-13,16H,3-4,9-10,18H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine?
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66070153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).