1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine

C10H11F2NO3 — CID 54594968

IUPAC1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC(F)F)OCO2
InChIInChI=1S/C10H11F2NO3/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)16-10(11)12/h2-3,10,13H,4-5H2,1H3
InChIKeyIVZGRRPYQYXFDD-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.74
Rot. Bonds4

About 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine

1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine (PubChem CID 54594968) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
PubChem CID54594968
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC(F)F)OCO2
InChIInChI=1S/C10H11F2NO3/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)16-10(11)12/h2-3,10,13H,4-5H2,1H3
InChIKeyIVZGRRPYQYXFDD-UHFFFAOYSA-N
XLogP1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-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-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine (CID 54594968) is 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine is CNCc1cc2c(cc1OC(F)F)OCO2.
What is the InChIKey of 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The InChIKey is IVZGRRPYQYXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)16-10(11)12/h2-3,10,13H,4-5H2,1H3.
What are the key properties of 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine has a molecular weight of 231.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 54594968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).