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

C17H20FNO2 — CID 63367980

IUPAC1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
SMILESC[C@@H](N)c1ccc(F)cc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20FNO2/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,20H,11,19H2,1-2H3/t12-,17?/m1/s1
InChIKeyXLOGVVXHFDSATQ-MTATWXBHSA-N
MW289.35 g/mol
LogP3.13
Rot. Bonds5

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

1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol (PubChem CID 63367980) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
PubChem CID63367980
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
SMILESC[C@@H](N)c1ccc(F)cc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20FNO2/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,20H,11,19H2,1-2H3/t12-,17?/m1/s1
InChIKeyXLOGVVXHFDSATQ-MTATWXBHSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
(1S)-1-[2-(2,2-difluoro-2-phenylethoxy)-4-fluorophenyl]ethanamine
CID 104893336
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
3-[2-(1-aminoethyl)-5-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 79629205
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
1-[4-bromo-2-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 102946387
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol (CID 63367980) is 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol is C[C@@H](N)c1ccc(F)cc1OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol?
The InChIKey is XLOGVVXHFDSATQ-MTATWXBHSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,20H,11,19H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol?
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 3.13, 5 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]-2-phenylpropan-2-ol is sourced from PubChem (CID 63367980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).