1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol

C11H16FNO2 — CID 84746272

IUPAC1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO2/c1-8-3-4-9(12)5-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3
InChIKeyIEGCMZTVHUXFOL-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.09
Rot. Bonds5

About 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol

1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol (PubChem CID 84746272) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
PubChem CID84746272
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO2/c1-8-3-4-9(12)5-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3
InChIKeyIEGCMZTVHUXFOL-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxy-3-(methylamino)propoxy]-4-methylbenzonitrile
CID 107657480
1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898371
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 63216610
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol (CID 84746272) is 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol?
The InChIKey is IEGCMZTVHUXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8-3-4-9(12)5-11(8)15-7-10(14)6-13-2/h3-5,10,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol?
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 84746272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).