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

C14H21NO3 — CID 115249100

IUPAC[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1CCNCC1(CO)COC1
InChIInChI=1S/C14H21NO3/c1-17-13-5-3-2-4-12(13)6-7-15-8-14(9-16)10-18-11-14/h2-5,15-16H,6-11H2,1H3
InChIKeyUXKXZRRPJJGUFN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds7

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

[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249100) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249100
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1CCNCC1(CO)COC1
InChIInChI=1S/C14H21NO3/c1-17-13-5-3-2-4-12(13)6-7-15-8-14(9-16)10-18-11-14/h2-5,15-16H,6-11H2,1H3
InChIKeyUXKXZRRPJJGUFN-UHFFFAOYSA-N
XLogP0.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243096
N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 106261536
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111965714
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol (CID 115249100) is [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol is COc1ccccc1CCNCC1(CO)COC1.
What is the InChIKey of [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is UXKXZRRPJJGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-5-3-2-4-12(13)6-7-15-8-14(9-16)10-18-11-14/h2-5,15-16H,6-11H2,1H3.
What are the key properties of [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).