3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol

C14H20FNO2 — CID 106129789

IUPAC3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(CNCC2CCC(O)C2)c1F
InChIInChI=1S/C14H20FNO2/c1-18-13-4-2-3-11(14(13)15)9-16-8-10-5-6-12(17)7-10/h2-4,10,12,16-17H,5-9H2,1H3
InChIKeyXYFSEPPQFYARFK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.08
Rot. Bonds5

About 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol

3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 106129789) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID106129789
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(CNCC2CCC(O)C2)c1F
InChIInChI=1S/C14H20FNO2/c1-18-13-4-2-3-11(14(13)15)9-16-8-10-5-6-12(17)7-10/h2-4,10,12,16-17H,5-9H2,1H3
InChIKeyXYFSEPPQFYARFK-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
3-[[(2-fluoro-3-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129534
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol (CID 106129789) is 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol is COc1cccc(CNCC2CCC(O)C2)c1F.
What is the InChIKey of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is XYFSEPPQFYARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-13-4-2-3-11(14(13)15)9-16-8-10-5-6-12(17)7-10/h2-4,10,12,16-17H,5-9H2,1H3.
What are the key properties of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).