[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol

C15H23NO2 — CID 115249056

IUPAC[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCCc1ccc(CCNCC2(CO)COC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-13-3-5-14(6-4-13)7-8-16-9-15(10-17)11-18-12-15/h3-6,16-17H,2,7-12H2,1H3
InChIKeyYZEIYRWGNXXEPF-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.39
Rot. Bonds7

About [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol

[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249056) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249056
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCCc1ccc(CCNCC2(CO)COC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-13-3-5-14(6-4-13)7-8-16-9-15(10-17)11-18-12-15/h3-6,16-17H,2,7-12H2,1H3
InChIKeyYZEIYRWGNXXEPF-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101
3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248124
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249052

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol (CID 115249056) is [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol is CCc1ccc(CCNCC2(CO)COC2)cc1.
What is the InChIKey of [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is YZEIYRWGNXXEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-13-3-5-14(6-4-13)7-8-16-9-15(10-17)11-18-12-15/h3-6,16-17H,2,7-12H2,1H3.
What are the key properties of [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).