1-(1,3-benzodioxol-4-yl)-N-methylmethanamine

C9H11NO2 — CID 43583247

IUPAC1-(1,3-benzodioxol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1OCO2
InChIInChI=1S/C9H11NO2/c1-10-5-7-3-2-4-8-9(7)12-6-11-8/h2-4,10H,5-6H2,1H3
InChIKeySBRKQMIPPKZACL-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.13
Rot. Bonds2

About 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine

1-(1,3-benzodioxol-4-yl)-N-methylmethanamine (PubChem CID 43583247) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-methylmethanamine
PubChem CID43583247
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1OCO2
InChIInChI=1S/C9H11NO2/c1-10-5-7-3-2-4-8-9(7)12-6-11-8/h2-4,10H,5-6H2,1H3
InChIKeySBRKQMIPPKZACL-UHFFFAOYSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine (CID 43583247) is 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine is CNCc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine?
The InChIKey is SBRKQMIPPKZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-5-7-3-2-4-8-9(7)12-6-11-8/h2-4,10H,5-6H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine?
1-(1,3-benzodioxol-4-yl)-N-methylmethanamine has a molecular weight of 165.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 43583247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).