2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine

C14H20FNS — CID 65138724

IUPAC2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNS/c1-16-14(10-17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3
InChIKeyRUOGCRSFUNSBRJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.76
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine

2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 65138724) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID65138724
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNS/c1-16-14(10-17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3
InChIKeyRUOGCRSFUNSBRJ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
CID 81228669
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine (CID 65138724) is 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine is CNC(CSC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is RUOGCRSFUNSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-16-14(10-17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine?
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 65138724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).