(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol

C10H16N2O2 — CID 105014317

IUPAC(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCOc1ccc(CNC[C@@H](C)O)cn1
InChIInChI=1S/C10H16N2O2/c1-8(13)5-11-6-9-3-4-10(14-2)12-7-9/h3-4,7-8,11,13H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyKNYLHLOPLWUHLA-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.56
Rot. Bonds5

About (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol

(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 105014317) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
PubChem CID105014317
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCOc1ccc(CNC[C@@H](C)O)cn1
InChIInChI=1S/C10H16N2O2/c1-8(13)5-11-6-9-3-4-10(14-2)12-7-9/h3-4,7-8,11,13H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyKNYLHLOPLWUHLA-MRVPVSSYSA-N
XLogP0.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803
1-[(6-methoxy-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 62991338
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 105007225
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol (CID 105014317) is (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol is COc1ccc(CNC[C@@H](C)O)cn1.
What is the InChIKey of (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is KNYLHLOPLWUHLA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(13)5-11-6-9-3-4-10(14-2)12-7-9/h3-4,7-8,11,13H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 105014317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).