2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol

C10H16N2O2 — CID 84666993

IUPAC2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol
SMILESCOc1ccnc(C(O)C(C)N)c1C
InChIInChI=1S/C10H16N2O2/c1-6-8(14-3)4-5-12-9(6)10(13)7(2)11/h4-5,7,10,13H,11H2,1-3H3
InChIKeyQAESSQHBFSNWLK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol

2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol (PubChem CID 84666993) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol
PubChem CID84666993
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol
SMILESCOc1ccnc(C(O)C(C)N)c1C
InChIInChI=1S/C10H16N2O2/c1-6-8(14-3)4-5-12-9(6)10(13)7(2)11/h4-5,7,10,13H,11H2,1-3H3
InChIKeyQAESSQHBFSNWLK-UHFFFAOYSA-N
XLogP0.78
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol (CID 84666993) is 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol is COc1ccnc(C(O)C(C)N)c1C.
What is the InChIKey of 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is QAESSQHBFSNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-8(14-3)4-5-12-9(6)10(13)7(2)11/h4-5,7,10,13H,11H2,1-3H3.
What are the key properties of 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol?
2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 84666993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).