[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol

C13H19NO2 — CID 111976476

IUPAC[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccccc1)CC1(CO)COC1
InChIInChI=1S/C13H19NO2/c1-14(7-12-5-3-2-4-6-12)8-13(9-15)10-16-11-13/h2-6,15H,7-11H2,1H3
InChIKeyGRXKDFWJLURHLS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.13
Rot. Bonds5

About [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol

[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 111976476) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
PubChem CID111976476
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccccc1)CC1(CO)COC1
InChIInChI=1S/C13H19NO2/c1-14(7-12-5-3-2-4-6-12)8-13(9-15)10-16-11-13/h2-6,15H,7-11H2,1H3
InChIKeyGRXKDFWJLURHLS-UHFFFAOYSA-N
XLogP1.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 110019569
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034

Frequently Asked Questions

What is the IUPAC name of [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol (CID 111976476) is [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol is CN(Cc1ccccc1)CC1(CO)COC1.
What is the InChIKey of [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is GRXKDFWJLURHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(7-12-5-3-2-4-6-12)8-13(9-15)10-16-11-13/h2-6,15H,7-11H2,1H3.
What are the key properties of [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol?
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).