1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol

C17H22N2O2 — CID 81392297

IUPAC1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-16(10-13)21-12-15(20)11-19-14(2)17-8-3-4-9-18-17/h3-10,14-15,19-20H,11-12H2,1-2H3/t14-,15?/m1/s1
InChIKeyRVHGWCKPLHTFGS-GICMACPYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds7

About 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol

1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81392297) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81392297
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-16(10-13)21-12-15(20)11-19-14(2)17-8-3-4-9-18-17/h3-10,14-15,19-20H,11-12H2,1-2H3/t14-,15?/m1/s1
InChIKeyRVHGWCKPLHTFGS-GICMACPYSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
CID 31298486
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 75382914
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81392297) is 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol is Cc1cccc(OCC(O)CN[C@H](C)c2ccccn2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is RVHGWCKPLHTFGS-GICMACPYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-5-7-16(10-13)21-12-15(20)11-19-14(2)17-8-3-4-9-18-17/h3-10,14-15,19-20H,11-12H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81392297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).