[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol

C11H15NO3 — CID 115229229

IUPAC[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
SMILESCc1cc2c(cc1CN(C)CO)OCO2
InChIInChI=1S/C11H15NO3/c1-8-3-10-11(15-7-14-10)4-9(8)5-12(2)6-13/h3-4,13H,5-7H2,1-2H3
InChIKeyHWWNDUKEMDGPLT-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.11
Rot. Bonds3

About [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol

[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol (PubChem CID 115229229) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
PubChem CID115229229
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
SMILESCc1cc2c(cc1CN(C)CO)OCO2
InChIInChI=1S/C11H15NO3/c1-8-3-10-11(15-7-14-10)4-9(8)5-12(2)6-13/h3-4,13H,5-7H2,1-2H3
InChIKeyHWWNDUKEMDGPLT-UHFFFAOYSA-N
XLogP1.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.11
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-(bromomethyl)-N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanamine
CID 115262135
2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol
CID 115137051
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
3-[methyl-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propan-1-ol
CID 115216940
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]acetamide
CID 115260297
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167975
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
N-ethyl-N'-methyl-N'-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]ethane-1,2-diamine
CID 115206131
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232

Frequently Asked Questions

What is the IUPAC name of [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol?
The IUPAC name of [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol (CID 115229229) is [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol.
What is the SMILES notation for [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol?
The canonical SMILES for [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol is Cc1cc2c(cc1CN(C)CO)OCO2.
What is the InChIKey of [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol?
The InChIKey is HWWNDUKEMDGPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-10-11(15-7-14-10)4-9(8)5-12(2)6-13/h3-4,13H,5-7H2,1-2H3.
What are the key properties of [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol?
[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol has a molecular weight of 209.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol is sourced from PubChem (CID 115229229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).