1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol

C16H24FNO2 — CID 81395407

IUPAC1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1F)C1CCCC1
InChIInChI=1S/C16H24FNO2/c1-12(13-6-2-3-7-13)18-10-14(19)11-20-16-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyANCDJCXKLLLLRV-NBFOIZRFSA-N
MW281.37 g/mol
LogP2.73
Rot. Bonds7

About 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol

1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 81395407) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID81395407
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1F)C1CCCC1
InChIInChI=1S/C16H24FNO2/c1-12(13-6-2-3-7-13)18-10-14(19)11-20-16-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyANCDJCXKLLLLRV-NBFOIZRFSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 138961019
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
CID 103914754
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CID 64731894

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol (CID 81395407) is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol is C[C@H](NCC(O)COc1ccccc1F)C1CCCC1.
What is the InChIKey of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is ANCDJCXKLLLLRV-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(13-6-2-3-7-13)18-10-14(19)11-20-16-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 81395407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).