6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol

C10H13NO3 — CID 12032543

IUPAC6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
SMILESCN(C)Cc1cc2c(cc1O)OCO2
InChIInChI=1S/C10H13NO3/c1-11(2)5-7-3-9-10(4-8(7)12)14-6-13-9/h3-4,12H,5-6H2,1-2H3
InChIKeyXMJMZKYQWBRCCX-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.18
Rot. Bonds2

About 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol

6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol (PubChem CID 12032543) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
PubChem CID12032543
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
SMILESCN(C)Cc1cc2c(cc1O)OCO2
InChIInChI=1S/C10H13NO3/c1-11(2)5-7-3-9-10(4-8(7)12)14-6-13-9/h3-4,12H,5-6H2,1-2H3
InChIKeyXMJMZKYQWBRCCX-UHFFFAOYSA-N
XLogP1.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 47164420
6-[[methyl(2-methylbutyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 78954341
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol
CID 27080619
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 63933730
6-[(but-2-ynylamino)methyl]-1,3-benzodioxol-5-ol
CID 115866504
6-[(3-methoxy-N-methylanilino)methyl]-1,3-benzodioxol-5-ol
CID 82957694
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 103839025
6-[(hexylamino)methyl]-1,3-benzodioxol-5-ol
CID 55012501
6-[(2-methylbutylamino)methyl]-1,3-benzodioxol-5-ol
CID 62692219
6-[(octylamino)methyl]-1,3-benzodioxol-5-ol
CID 78916444

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol (CID 12032543) is 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol is CN(C)Cc1cc2c(cc1O)OCO2.
What is the InChIKey of 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol?
The InChIKey is XMJMZKYQWBRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(2)5-7-3-9-10(4-8(7)12)14-6-13-9/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol?
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol has a molecular weight of 195.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 12032543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).