2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine

C14H20FNOS — CID 82807188

IUPAC2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSC2CCCC2)c1F
InChIInChI=1S/C14H20FNOS/c1-17-13-8-4-7-11(14(13)15)12(16)9-18-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3
InChIKeyPPGMASAMVGSOKR-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.51
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine

2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 82807188) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID82807188
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSC2CCCC2)c1F
InChIInChI=1S/C14H20FNOS/c1-17-13-8-4-7-11(14(13)15)12(16)9-18-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3
InChIKeyPPGMASAMVGSOKR-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine (CID 82807188) is 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine is COc1cccc(C(N)CSC2CCCC2)c1F.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is PPGMASAMVGSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-17-13-8-4-7-11(14(13)15)12(16)9-18-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 269.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82807188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).