1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol

C17H21FN2O2 — CID 110877328

IUPAC1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccnc1)CC(O)COCc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-20(10-14-5-4-8-19-9-14)11-16(21)13-22-12-15-6-2-3-7-17(15)18/h2-9,16,21H,10-13H2,1H3
InChIKeyPZZDXIHDHDPCLH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.23
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol (PubChem CID 110877328) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
PubChem CID110877328
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccnc1)CC(O)COCc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-20(10-14-5-4-8-19-9-14)11-16(21)13-22-12-15-6-2-3-7-17(15)18/h2-9,16,21H,10-13H2,1H3
InChIKeyPZZDXIHDHDPCLH-UHFFFAOYSA-N
XLogP2.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
CID 42926568
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol (CID 110877328) is 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol is CN(Cc1cccnc1)CC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The InChIKey is PZZDXIHDHDPCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-20(10-14-5-4-8-19-9-14)11-16(21)13-22-12-15-6-2-3-7-17(15)18/h2-9,16,21H,10-13H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol has a molecular weight of 304.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 110877328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).