1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

C19H23F2NO3 — CID 78805385

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COCc2ccccc2F)cc1F
InChIInChI=1S/C19H23F2NO3/c1-22(10-14-7-8-19(24-2)18(21)9-14)11-16(23)13-25-12-15-5-3-4-6-17(15)20/h3-9,16,23H,10-13H2,1-2H3
InChIKeyWWQPFWDMEJUCDL-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.98
Rot. Bonds9

About 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 78805385) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID78805385
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COCc2ccccc2F)cc1F
InChIInChI=1S/C19H23F2NO3/c1-22(10-14-7-8-19(24-2)18(21)9-14)11-16(23)13-25-12-15-5-3-4-6-17(15)20/h3-9,16,23H,10-13H2,1-2H3
InChIKeyWWQPFWDMEJUCDL-UHFFFAOYSA-N
XLogP2.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-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-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254550

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 78805385) is 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is COc1ccc(CN(C)CC(O)COCc2ccccc2F)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is WWQPFWDMEJUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-22(10-14-7-8-19(24-2)18(21)9-14)11-16(23)13-25-12-15-5-3-4-6-17(15)20/h3-9,16,23H,10-13H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 351.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 78805385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).