2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol

C9H14N2O2 — CID 82654871

IUPAC2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
SMILESCOc1cccc(C(O)C(C)N)n1
InChIInChI=1S/C9H14N2O2/c1-6(10)9(12)7-4-3-5-8(11-7)13-2/h3-6,9,12H,10H2,1-2H3
InChIKeyALRDIDVCPPDSRS-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds3

About 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol

2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol (PubChem CID 82654871) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
PubChem CID82654871
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
SMILESCOc1cccc(C(O)C(C)N)n1
InChIInChI=1S/C9H14N2O2/c1-6(10)9(12)7-4-3-5-8(11-7)13-2/h3-6,9,12H,10H2,1-2H3
InChIKeyALRDIDVCPPDSRS-UHFFFAOYSA-N
XLogP0.47
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol (CID 82654871) is 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol is COc1cccc(C(O)C(C)N)n1.
What is the InChIKey of 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol?
The InChIKey is ALRDIDVCPPDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(10)9(12)7-4-3-5-8(11-7)13-2/h3-6,9,12H,10H2,1-2H3.
What are the key properties of 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol?
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol has a molecular weight of 182.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 82654871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).