1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol

C12H20N2O2 — CID 114955407

IUPAC1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cnccc1C
InChIInChI=1S/C12H20N2O2/c1-3-16-9-12(15)8-14-7-11-6-13-5-4-10(11)2/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyBANADOSRULXJGH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.88
Rot. Bonds7

About 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol

1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 114955407) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
PubChem CID114955407
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cnccc1C
InChIInChI=1S/C12H20N2O2/c1-3-16-9-12(15)8-14-7-11-6-13-5-4-10(11)2/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyBANADOSRULXJGH-UHFFFAOYSA-N
XLogP0.88
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]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

Related Compounds

1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955427
1-(4-methylpentoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699671
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103490454
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
1-ethoxy-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 63934487

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol (CID 114955407) is 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol is CCOCC(O)CNCc1cnccc1C.
What is the InChIKey of 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is BANADOSRULXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-16-9-12(15)8-14-7-11-6-13-5-4-10(11)2/h4-6,12,14-15H,3,7-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 114955407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).