[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine

C14H20FNO2 — CID 117386175

IUPAC[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(OC)c(C2(CN)CCCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-17-10-5-6-11(18-2)13(15)12(10)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyPHLQFKYALYEXHR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.61
Rot. Bonds4

About [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine

[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 117386175) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
PubChem CID117386175
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(OC)c(C2(CN)CCCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-17-10-5-6-11(18-2)13(15)12(10)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyPHLQFKYALYEXHR-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine (CID 117386175) is [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine is COc1ccc(OC)c(C2(CN)CCCC2)c1F.
What is the InChIKey of [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is PHLQFKYALYEXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-10-5-6-11(18-2)13(15)12(10)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-3,6-dimethoxyphenyl)cyclopentyl]methanamine?
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117386175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).