1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol

C16H20N2O2 — CID 63930265

IUPAC1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2O2/c1-20-12-15(19)11-18-16(13-5-3-2-4-6-13)14-7-9-17-10-8-14/h2-10,15-16,18-19H,11-12H2,1H3
InChIKeyRNAHSTXBILQYID-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds7

About 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol

1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol (PubChem CID 63930265) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
PubChem CID63930265
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2O2/c1-20-12-15(19)11-18-16(13-5-3-2-4-6-13)14-7-9-17-10-8-14/h2-10,15-16,18-19H,11-12H2,1H3
InChIKeyRNAHSTXBILQYID-UHFFFAOYSA-N
XLogP1.77
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
CID 110010234
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol (CID 63930265) is 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol is COCC(O)CNC(c1ccccc1)c1ccncc1.
What is the InChIKey of 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The InChIKey is RNAHSTXBILQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-12-15(19)11-18-16(13-5-3-2-4-6-13)14-7-9-17-10-8-14/h2-10,15-16,18-19H,11-12H2,1H3.
What are the key properties of 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 63930265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).