1-amino-3-(3-fluorophenoxy)propan-2-ol

C9H12FNO2 — CID 16784461

IUPAC1-amino-3-(3-fluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cccc(F)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
InChIKeySHDIMYNSDVLUKM-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.52
Rot. Bonds4

About 1-amino-3-(3-fluorophenoxy)propan-2-ol

1-amino-3-(3-fluorophenoxy)propan-2-ol (PubChem CID 16784461) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-amino-3-(3-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-fluorophenoxy)propan-2-ol
PubChem CID16784461
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-amino-3-(3-fluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cccc(F)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
InChIKeySHDIMYNSDVLUKM-UHFFFAOYSA-N
XLogP0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
CID 142633969
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122
3-(3-fluorophenoxy)-2-methoxypropan-1-amine
CID 105452028
(2S)-1-amino-3-(3-isocyanophenoxy)propan-2-ol
CID 59827328
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-fluorophenoxy)propan-2-ol (CID 16784461) is 1-amino-3-(3-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-fluorophenoxy)propan-2-ol is NCC(O)COc1cccc(F)c1.
What is the InChIKey of 1-amino-3-(3-fluorophenoxy)propan-2-ol?
The InChIKey is SHDIMYNSDVLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2.
What are the key properties of 1-amino-3-(3-fluorophenoxy)propan-2-ol?
1-amino-3-(3-fluorophenoxy)propan-2-ol has a molecular weight of 185.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 16784461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).