1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C15H26N2O4 — CID 62989903

IUPAC1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COCCOC(C)C)ccn1
InChIInChI=1S/C15H26N2O4/c1-12(2)21-7-6-20-11-14(18)10-16-9-13-4-5-17-15(8-13)19-3/h4-5,8,12,14,16,18H,6-7,9-11H2,1-3H3
InChIKeyXQZNCGNXHBODGS-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.98
Rot. Bonds11

About 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 62989903) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID62989903
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COCCOC(C)C)ccn1
InChIInChI=1S/C15H26N2O4/c1-12(2)21-7-6-20-11-14(18)10-16-9-13-4-5-17-15(8-13)19-3/h4-5,8,12,14,16,18H,6-7,9-11H2,1-3H3
InChIKeyXQZNCGNXHBODGS-UHFFFAOYSA-N
XLogP0.98
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)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-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 62989552
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
3-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]benzonitrile
CID 60918104
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 62989903) is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is COc1cc(CNCC(O)COCCOC(C)C)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is XQZNCGNXHBODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(2)21-7-6-20-11-14(18)10-16-9-13-4-5-17-15(8-13)19-3/h4-5,8,12,14,16,18H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 0.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 62989903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).