(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol

C9H14N2O2 — CID 130700644

IUPAC(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
SMILESCOc1ccc([C@H](N)C(C)O)cn1
InChIInChI=1S/C9H14N2O2/c1-6(12)9(10)7-3-4-8(13-2)11-5-7/h3-6,9,12H,10H2,1-2H3/t6?,9-/m1/s1
InChIKeyCHQRJTNDPFHZNV-IOJJLOCKSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds3

About (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol

(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol (PubChem CID 130700644) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
PubChem CID130700644
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
SMILESCOc1ccc([C@H](N)C(C)O)cn1
InChIInChI=1S/C9H14N2O2/c1-6(12)9(10)7-3-4-8(13-2)11-5-7/h3-6,9,12H,10H2,1-2H3/t6?,9-/m1/s1
InChIKeyCHQRJTNDPFHZNV-IOJJLOCKSA-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

Analyze (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol (CID 130700644) is (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol is COc1ccc([C@H](N)C(C)O)cn1.
What is the InChIKey of (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol?
The InChIKey is CHQRJTNDPFHZNV-IOJJLOCKSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)9(10)7-3-4-8(13-2)11-5-7/h3-6,9,12H,10H2,1-2H3/t6?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol?
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-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 (1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 130700644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).