N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine

C19H22FNO4 — CID 46998469

IUPACN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccccc1F)Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C19H22FNO4/c1-22-8-7-21(11-14-5-3-4-6-16(14)20)12-15-9-18-19(25-13-24-18)10-17(15)23-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKeyINJMIWMNBUDQTJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.21
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine

N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine (PubChem CID 46998469) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
PubChem CID46998469
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccccc1F)Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C19H22FNO4/c1-22-8-7-21(11-14-5-3-4-6-16(14)20)12-15-9-18-19(25-13-24-18)10-17(15)23-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKeyINJMIWMNBUDQTJ-UHFFFAOYSA-N
XLogP3.21
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine 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 N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine (CID 46998469) is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine is COCCN(Cc1ccccc1F)Cc1cc2c(cc1OC)OCO2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The InChIKey is INJMIWMNBUDQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-22-8-7-21(11-14-5-3-4-6-16(14)20)12-15-9-18-19(25-13-24-18)10-17(15)23-2/h3-6,9-10H,7-8,11-13H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine has a molecular weight of 347.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine is sourced from PubChem (CID 46998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).