4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol

C15H24N2O3 — CID 114947773

IUPAC4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
SMILESCCOc1cccc(N(C)CC2(O)CCOCC2)c1N
InChIInChI=1S/C15H24N2O3/c1-3-20-13-6-4-5-12(14(13)16)17(2)11-15(18)7-9-19-10-8-15/h4-6,18H,3,7-11,16H2,1-2H3
InChIKeyCVNDDZVGLYYGSC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.65
Rot. Bonds5

About 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol

4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol (PubChem CID 114947773) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
PubChem CID114947773
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
SMILESCCOc1cccc(N(C)CC2(O)CCOCC2)c1N
InChIInChI=1S/C15H24N2O3/c1-3-20-13-6-4-5-12(14(13)16)17(2)11-15(18)7-9-19-10-8-15/h4-6,18H,3,7-11,16H2,1-2H3
InChIKeyCVNDDZVGLYYGSC-UHFFFAOYSA-N
XLogP1.65
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-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

4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949762
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
CID 106914206
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol (CID 114947773) is 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol is CCOc1cccc(N(C)CC2(O)CCOCC2)c1N.
What is the InChIKey of 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol?
The InChIKey is CVNDDZVGLYYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-20-13-6-4-5-12(14(13)16)17(2)11-15(18)7-9-19-10-8-15/h4-6,18H,3,7-11,16H2,1-2H3.
What are the key properties of 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol?
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol is sourced from PubChem (CID 114947773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).