[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol

C15H23NO3 — CID 115248969

IUPAC[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCCc1cc(CNCC2(CO)COC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-13-6-12(4-5-14(13)18-2)7-16-8-15(9-17)10-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeyZOEOYVHHLJUQEX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.36
Rot. Bonds7

About [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol

[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115248969) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
PubChem CID115248969
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCCc1cc(CNCC2(CO)COC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-13-6-12(4-5-14(13)18-2)7-16-8-15(9-17)10-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeyZOEOYVHHLJUQEX-UHFFFAOYSA-N
XLogP1.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol 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-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
CID 109396406
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
3-[[(4-methoxy-3-methylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248414
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol (CID 115248969) is [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol is CCc1cc(CNCC2(CO)COC2)ccc1OC.
What is the InChIKey of [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is ZOEOYVHHLJUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-13-6-12(4-5-14(13)18-2)7-16-8-15(9-17)10-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3.
What are the key properties of [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol?
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).