2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine

C14H20FNS — CID 65138607

IUPAC2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)CSC1CCCC1
InChIInChI=1S/C14H20FNS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14H,2-5,9,16H2,1H3
InChIKeyYPMAXJXVZHGZNM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.81
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine

2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 65138607) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID65138607
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)CSC1CCCC1
InChIInChI=1S/C14H20FNS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14H,2-5,9,16H2,1H3
InChIKeyYPMAXJXVZHGZNM-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 65139652
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine (CID 65138607) is 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(N)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is YPMAXJXVZHGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14H,2-5,9,16H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine?
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 65138607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).