(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol

C16H20N2O2 — CID 122589547

IUPAC(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
SMILESCOc1cccc(CN[C@H](CO)Cc2ccccn2)c1
InChIInChI=1S/C16H20N2O2/c1-20-16-7-4-5-13(9-16)11-18-15(12-19)10-14-6-2-3-8-17-14/h2-9,15,18-19H,10-12H2,1H3/t15-/m0/s1
InChIKeyXIDZXFWLYSNLKH-HNNXBMFYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds7

About (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol

(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol (PubChem CID 122589547) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
PubChem CID122589547
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
SMILESCOc1cccc(CN[C@H](CO)Cc2ccccn2)c1
InChIInChI=1S/C16H20N2O2/c1-20-16-7-4-5-13(9-16)11-18-15(12-19)10-14-6-2-3-8-17-14/h2-9,15,18-19H,10-12H2,1H3/t15-/m0/s1
InChIKeyXIDZXFWLYSNLKH-HNNXBMFYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 122600778
(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 101347928
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol (CID 122589547) is (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol is COc1cccc(CN[C@H](CO)Cc2ccccn2)c1.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is XIDZXFWLYSNLKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16-7-4-5-13(9-16)11-18-15(12-19)10-14-6-2-3-8-17-14/h2-9,15,18-19H,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol?
(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 122589547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).