[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol

C16H24FNO2 — CID 107171546

IUPAC[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(11-19)7-6-14(10-16)20-13-5-4-12(2)15(17)9-13/h4-5,9,14,18-19H,3,6-8,10-11H2,1-2H3
InChIKeyCYGZGMRAERGHKR-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.80
Rot. Bonds6

About [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol

[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol (PubChem CID 107171546) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
PubChem CID107171546
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(11-19)7-6-14(10-16)20-13-5-4-12(2)15(17)9-13/h4-5,9,14,18-19H,3,6-8,10-11H2,1-2H3
InChIKeyCYGZGMRAERGHKR-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252
3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79648140
[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79647984
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol (CID 107171546) is [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Oc2ccc(C)c(F)c2)C1.
What is the InChIKey of [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is CYGZGMRAERGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-8-18-16(11-19)7-6-14(10-16)20-13-5-4-12(2)15(17)9-13/h4-5,9,14,18-19H,3,6-8,10-11H2,1-2H3.
What are the key properties of [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol?
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 281.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 107171546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).