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

C14H20FNO2 — CID 104791155

IUPAC[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
SMILESCOc1cccc(COC2(CN)CCCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-17-12-6-4-5-11(13(12)15)9-18-14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3
InChIKeyOMYCKRXBDSFRAI-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.62
Rot. Bonds5

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

[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine (PubChem CID 104791155) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
PubChem CID104791155
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
SMILESCOc1cccc(COC2(CN)CCCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-17-12-6-4-5-11(13(12)15)9-18-14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3
InChIKeyOMYCKRXBDSFRAI-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
CID 82831596
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
1-[2-(2-fluoro-3-methoxyphenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242560

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine (CID 104791155) is [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine is COc1cccc(COC2(CN)CCCC2)c1F.
What is the InChIKey of [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine?
The InChIKey is OMYCKRXBDSFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-12-6-4-5-11(13(12)15)9-18-14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3.
What are the key properties of [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine?
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 104791155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).