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

C10H13NO3 — CID 115229115

IUPAC[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-11(6-12)5-8-2-3-9-10(4-8)14-7-13-9/h2-4,12H,5-7H2,1H3
InChIKeyDGANFOHEXHFUST-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.80
Rot. Bonds3

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

[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol (PubChem CID 115229115) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol.

Molecular Properties

Compound Name[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
PubChem CID115229115
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-11(6-12)5-8-2-3-9-10(4-8)14-7-13-9/h2-4,12H,5-7H2,1H3
InChIKeyDGANFOHEXHFUST-UHFFFAOYSA-N
XLogP0.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N'-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202020
[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
CID 115229229
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid
CID 115241750
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylmethanamine
CID 47010663
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 26547868

Frequently Asked Questions

What is the IUPAC name of [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol?
The IUPAC name of [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol (CID 115229115) is [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol.
What is the SMILES notation for [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol?
The canonical SMILES for [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol is CN(CO)Cc1ccc2c(c1)OCO2.
What is the InChIKey of [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol?
The InChIKey is DGANFOHEXHFUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(6-12)5-8-2-3-9-10(4-8)14-7-13-9/h2-4,12H,5-7H2,1H3.
What are the key properties of [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol?
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol has a molecular weight of 195.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol is sourced from PubChem (CID 115229115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).