2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol

C16H18FNO2 — CID 107712758

IUPAC2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
SMILESC[C@H](N)c1c(F)cccc1Oc1ccccc1CCO
InChIInChI=1S/C16H18FNO2/c1-11(18)16-13(17)6-4-8-15(16)20-14-7-3-2-5-12(14)9-10-19/h2-8,11,19H,9-10,18H2,1H3/t11-/m0/s1
InChIKeyJKSPMMZDJFMFLO-NSHDSACASA-N
MW275.32 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol

2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol (PubChem CID 107712758) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
PubChem CID107712758
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
SMILESC[C@H](N)c1c(F)cccc1Oc1ccccc1CCO
InChIInChI=1S/C16H18FNO2/c1-11(18)16-13(17)6-4-8-15(16)20-14-7-3-2-5-12(14)9-10-19/h2-8,11,19H,9-10,18H2,1H3/t11-/m0/s1
InChIKeyJKSPMMZDJFMFLO-NSHDSACASA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
(1R)-1-[2-(2-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 63534177
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
2-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107712752
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol (CID 107712758) is 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol is C[C@H](N)c1c(F)cccc1Oc1ccccc1CCO.
What is the InChIKey of 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol?
The InChIKey is JKSPMMZDJFMFLO-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)16-13(17)6-4-8-15(16)20-14-7-3-2-5-12(14)9-10-19/h2-8,11,19H,9-10,18H2,1H3/t11-/m0/s1.
What are the key properties of 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol?
2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol has a molecular weight of 275.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol is sourced from PubChem (CID 107712758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).