N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine

C18H17NO2 — CID 90228441

IUPACN-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
SMILESCNCCc1cc2c(c3c1ccc1ccccc13)OCO2
InChIInChI=1S/C18H17NO2/c1-19-9-8-13-10-16-18(21-11-20-16)17-14-5-3-2-4-12(14)6-7-15(13)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyDIDPZJUTLMXONA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine

N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine (PubChem CID 90228441) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
PubChem CID90228441
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
SMILESCNCCc1cc2c(c3c1ccc1ccccc13)OCO2
InChIInChI=1S/C18H17NO2/c1-19-9-8-13-10-16-18(21-11-20-16)17-14-5-3-2-4-12(14)6-7-15(13)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyDIDPZJUTLMXONA-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine 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-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine?
The IUPAC name of N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine (CID 90228441) is N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine.
What is the SMILES notation for N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine?
The canonical SMILES for N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine is CNCCc1cc2c(c3c1ccc1ccccc13)OCO2.
What is the InChIKey of N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine?
The InChIKey is DIDPZJUTLMXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-9-8-13-10-16-18(21-11-20-16)17-14-5-3-2-4-12(14)6-7-15(13)17/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine?
N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine is sourced from PubChem (CID 90228441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).