[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine

C14H20FNOS — CID 117426956

IUPAC[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c(F)c1SC
InChIInChI=1S/C14H20FNOS/c1-17-11-6-5-10(12(15)13(11)18-2)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyKNEUHDWGYBWHHN-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.33
Rot. Bonds4

About [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine

[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine (PubChem CID 117426956) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
PubChem CID117426956
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c(F)c1SC
InChIInChI=1S/C14H20FNOS/c1-17-11-6-5-10(12(15)13(11)18-2)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyKNEUHDWGYBWHHN-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
CID 117331513
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine (CID 117426956) is [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine is COc1ccc(C2(CN)CCCC2)c(F)c1SC.
What is the InChIKey of [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine?
The InChIKey is KNEUHDWGYBWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-17-11-6-5-10(12(15)13(11)18-2)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3.
What are the key properties of [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine?
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine has a molecular weight of 269.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117426956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).