2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol

C16H18FNO2 — CID 107718100

IUPAC2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
SMILESC[C@@H](N)c1ccc(OCC(O)c2ccccc2)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(18)14-8-7-13(9-15(14)17)20-10-16(19)12-5-3-2-4-6-12/h2-9,11,16,19H,10,18H2,1H3/t11-,16?/m1/s1
InChIKeyOYRUXNUUYSJMEG-ZVDHGWRTSA-N
MW275.32 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol (PubChem CID 107718100) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
PubChem CID107718100
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
SMILESC[C@@H](N)c1ccc(OCC(O)c2ccccc2)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(18)14-8-7-13(9-15(14)17)20-10-16(19)12-5-3-2-4-6-12/h2-9,11,16,19H,10,18H2,1H3/t11-,16?/m1/s1
InChIKeyOYRUXNUUYSJMEG-ZVDHGWRTSA-N
XLogP2.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-1-phenylethanol
CID 63367802
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol (CID 107718100) is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol is C[C@@H](N)c1ccc(OCC(O)c2ccccc2)cc1F.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol?
The InChIKey is OYRUXNUUYSJMEG-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)14-8-7-13(9-15(14)17)20-10-16(19)12-5-3-2-4-6-12/h2-9,11,16,19H,10,18H2,1H3/t11-,16?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol?
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol has a molecular weight of 275.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol is sourced from PubChem (CID 107718100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).