1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol

C16H24FNO2 — CID 107686518

IUPAC1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1ccc(OCC(O)CC2CCCC2)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-18-10-13-6-7-16(15(17)9-13)20-11-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,18-19H,2-5,8,10-11H2,1H3
InChIKeyBSKDPXIVEQUZAA-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.87
Rot. Bonds7

About 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol

1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 107686518) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID107686518
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1ccc(OCC(O)CC2CCCC2)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-18-10-13-6-7-16(15(17)9-13)20-11-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,18-19H,2-5,8,10-11H2,1H3
InChIKeyBSKDPXIVEQUZAA-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol
CID 135279807
1-(2-fluoro-4-propan-2-ylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135279938
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol (CID 107686518) is 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol is CNCc1ccc(OCC(O)CC2CCCC2)c(F)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is BSKDPXIVEQUZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-18-10-13-6-7-16(15(17)9-13)20-11-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,18-19H,2-5,8,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol?
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 107686518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).