1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol

C11H16FNO2 — CID 63368001

IUPAC1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C11H16FNO2/c1-7(14)6-15-11-5-9(12)3-4-10(11)8(2)13/h3-5,7-8,14H,6,13H2,1-2H3/t7?,8-/m1/s1
InChIKeyGSLRGMHPOAEIOA-BRFYHDHCSA-N
MW213.25 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol

1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol (PubChem CID 63368001) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
PubChem CID63368001
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C11H16FNO2/c1-7(14)6-15-11-5-9(12)3-4-10(11)8(2)13/h3-5,7-8,14H,6,13H2,1-2H3/t7?,8-/m1/s1
InChIKeyGSLRGMHPOAEIOA-BRFYHDHCSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
CID 79004928
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
CID 65213345
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
3-[2-(1-aminoethyl)-5-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 79629205
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol (CID 63368001) is 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol is CC(O)COc1cc(F)ccc1[C@@H](C)N.
What is the InChIKey of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol?
The InChIKey is GSLRGMHPOAEIOA-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7(14)6-15-11-5-9(12)3-4-10(11)8(2)13/h3-5,7-8,14H,6,13H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol?
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol is sourced from PubChem (CID 63368001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).