1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

C14H22FNO3 — CID 104554764

IUPAC1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCOc1cccc(F)c1C(O)CCN(C)C(C)CO
InChIInChI=1S/C14H22FNO3/c1-10(9-17)16(2)8-7-12(18)14-11(15)5-4-6-13(14)19-3/h4-6,10,12,17-18H,7-9H2,1-3H3
InChIKeyZXIRNLQIJVNFIQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.57
Rot. Bonds7

About 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (PubChem CID 104554764) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
PubChem CID104554764
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCOc1cccc(F)c1C(O)CCN(C)C(C)CO
InChIInChI=1S/C14H22FNO3/c1-10(9-17)16(2)8-7-12(18)14-11(15)5-4-6-13(14)19-3/h4-6,10,12,17-18H,7-9H2,1-3H3
InChIKeyZXIRNLQIJVNFIQ-UHFFFAOYSA-N
XLogP1.57
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
CID 106674262
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 65434086
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (CID 104554764) is 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is COc1cccc(F)c1C(O)CCN(C)C(C)CO.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The InChIKey is ZXIRNLQIJVNFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-10(9-17)16(2)8-7-12(18)14-11(15)5-4-6-13(14)19-3/h4-6,10,12,17-18H,7-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol has a molecular weight of 271.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104554764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).