[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol

C15H16FNO2 — CID 55182628

IUPAC[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1cc(F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16FNO2/c1-10(17)14-8-12(16)4-7-15(14)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyUVSJJVQHKWFKMN-SNVBAGLBSA-N
MW261.30 g/mol
LogP3.13
Rot. Bonds4

About [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol

[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol (PubChem CID 55182628) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
PubChem CID55182628
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1cc(F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16FNO2/c1-10(17)14-8-12(16)4-7-15(14)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyUVSJJVQHKWFKMN-SNVBAGLBSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
CID 61031257
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938709
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol?
The IUPAC name of [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol (CID 55182628) is [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol is C[C@@H](N)c1cc(F)ccc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol?
The InChIKey is UVSJJVQHKWFKMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(17)14-8-12(16)4-7-15(14)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1.
What are the key properties of [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol?
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol has a molecular weight of 261.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol is sourced from PubChem (CID 55182628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).