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

C14H21NO3 — CID 115249101

IUPAC[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1cccc(CCNCC2(CO)COC2)c1
InChIInChI=1S/C14H21NO3/c1-17-13-4-2-3-12(7-13)5-6-15-8-14(9-16)10-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3
InChIKeyGHNAZFFAMIYLTM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds7

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

[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249101) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249101
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCOc1cccc(CCNCC2(CO)COC2)c1
InChIInChI=1S/C14H21NO3/c1-17-13-4-2-3-12(7-13)5-6-15-8-14(9-16)10-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3
InChIKeyGHNAZFFAMIYLTM-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

[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol (CID 115249101) is [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol is COc1cccc(CCNCC2(CO)COC2)c1.
What is the InChIKey of [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is GHNAZFFAMIYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-4-2-3-12(7-13)5-6-15-8-14(9-16)10-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3.
What are the key properties of [3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(3-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-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).