N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride

C17H18ClNO3 — CID 70473319

IUPACN-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCC2OCc3c2ccc2c3OCO2)cc1
InChIInChI=1S/C17H17NO3.ClH/c1-2-4-12(5-3-1)8-18-9-16-13-6-7-15-17(21-11-20-15)14(13)10-19-16;/h1-7,16,18H,8-11H2;1H
InChIKeyPZGSKPHOEHTIFO-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.20
Rot. Bonds4

About N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride

N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride (PubChem CID 70473319) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride
PubChem CID70473319
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCC2OCc3c2ccc2c3OCO2)cc1
InChIInChI=1S/C17H17NO3.ClH/c1-2-4-12(5-3-1)8-18-9-16-13-6-7-15-17(21-11-20-15)14(13)10-19-16;/h1-7,16,18H,8-11H2;1H
InChIKeyPZGSKPHOEHTIFO-UHFFFAOYSA-N
XLogP3.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride 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-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride?
The IUPAC name of N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride (CID 70473319) is N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride.
What is the SMILES notation for N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride?
The canonical SMILES for N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride is Cl.c1ccc(CNCC2OCc3c2ccc2c3OCO2)cc1.
What is the InChIKey of N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride?
The InChIKey is PZGSKPHOEHTIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3.ClH/c1-2-4-12(5-3-1)8-18-9-16-13-6-7-15-17(21-11-20-15)14(13)10-19-16;/h1-7,16,18H,8-11H2;1H.
What are the key properties of N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride?
N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl)methanamine;hydrochloride is sourced from PubChem (CID 70473319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).