1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol

C11H16FNO3 — CID 171859159

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(OC)c1F
InChIInChI=1S/C11H16FNO3/c1-13-6-8(14)11(15)7-4-3-5-9(16-2)10(7)12/h3-5,8,11,13-15H,6H2,1-2H3
InChIKeyHWQXKWNJIHKFAU-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.45
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol

1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859159) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859159
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(OC)c1F
InChIInChI=1S/C11H16FNO3/c1-13-6-8(14)11(15)7-4-3-5-9(16-2)10(7)12/h3-5,8,11,13-15H,6H2,1-2H3
InChIKeyHWQXKWNJIHKFAU-UHFFFAOYSA-N
XLogP0.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
2-[1,2-dihydroxy-3-(methylamino)propyl]-6-methoxybenzoic acid
CID 171858557
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
3-[1,2-dihydroxy-3-(methylamino)propyl]-2-fluorobenzoic acid
CID 171858209
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171859159) is 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is HWQXKWNJIHKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-13-6-8(14)11(15)7-4-3-5-9(16-2)10(7)12/h3-5,8,11,13-15H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 229.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).