(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol

C17H22N2O2 — CID 118689232

IUPAC(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol
SMILESCNC[C@H](c1ccc(OC)c(C)c1)[C@H](O)c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(6-7-16(12)21-3)15(11-18-2)17(20)14-5-4-8-19-10-14/h4-10,15,17-18,20H,11H2,1-3H3/t15-,17-/m1/s1
InChIKeyVGYNYEFIVWGCPR-NVXWUHKLSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds6

About (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol

(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol (PubChem CID 118689232) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol
PubChem CID118689232
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol
SMILESCNC[C@H](c1ccc(OC)c(C)c1)[C@H](O)c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(6-7-16(12)21-3)15(11-18-2)17(20)14-5-4-8-19-10-14/h4-10,15,17-18,20H,11H2,1-3H3/t15-,17-/m1/s1
InChIKeyVGYNYEFIVWGCPR-NVXWUHKLSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol (CID 118689232) is (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol is CNC[C@H](c1ccc(OC)c(C)c1)[C@H](O)c1cccnc1.
What is the InChIKey of (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol?
The InChIKey is VGYNYEFIVWGCPR-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-13(6-7-16(12)21-3)15(11-18-2)17(20)14-5-4-8-19-10-14/h4-10,15,17-18,20H,11H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol?
(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 118689232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).