[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol

C14H19NO4 — CID 115249023

IUPAC[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccc2c(c1)OCO2)CC1(CO)COC1
InChIInChI=1S/C14H19NO4/c1-15(6-14(7-16)8-17-9-14)5-11-2-3-12-13(4-11)19-10-18-12/h2-4,16H,5-10H2,1H3
InChIKeyLVGDDGDDMKAGPC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds5

About [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol

[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 115249023) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
PubChem CID115249023
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccc2c(c1)OCO2)CC1(CO)COC1
InChIInChI=1S/C14H19NO4/c1-15(6-14(7-16)8-17-9-14)5-11-2-3-12-13(4-11)19-10-18-12/h2-4,16H,5-10H2,1H3
InChIKeyLVGDDGDDMKAGPC-UHFFFAOYSA-N
XLogP0.86
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
CID 116930311
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid
CID 115241750
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
CID 63747607
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl(methyl)amino]propanoic acid
CID 65063169
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-methylpentanoic acid
CID 136550093

Frequently Asked Questions

What is the IUPAC name of [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol (CID 115249023) is [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol is CN(Cc1ccc2c(c1)OCO2)CC1(CO)COC1.
What is the InChIKey of [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is LVGDDGDDMKAGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(6-14(7-16)8-17-9-14)5-11-2-3-12-13(4-11)19-10-18-12/h2-4,16H,5-10H2,1H3.
What are the key properties of [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol?
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 265.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).