N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine

C22H26N2O — CID 118724298

IUPACN-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine
SMILESCN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-23(16-18-8-3-2-4-9-18)13-7-14-24-15-12-22-20(17-24)19-10-5-6-11-21(19)25-22/h2-6,8-11H,7,12-17H2,1H3
InChIKeyLAEZOUGAISLBDR-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.31
Rot. Bonds6

About N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine

N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine (PubChem CID 118724298) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine
PubChem CID118724298
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine
SMILESCN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-23(16-18-8-3-2-4-9-18)13-7-14-24-15-12-22-20(17-24)19-10-5-6-11-21(19)25-22/h2-6,8-11H,7,12-17H2,1H3
InChIKeyLAEZOUGAISLBDR-UHFFFAOYSA-N
XLogP4.31
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine 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-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine (CID 118724298) is N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine is CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine?
The InChIKey is LAEZOUGAISLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23(16-18-8-3-2-4-9-18)13-7-14-24-15-12-22-20(17-24)19-10-5-6-11-21(19)25-22/h2-6,8-11H,7,12-17H2,1H3.
What are the key properties of N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine?
N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine has a molecular weight of 334.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 118724298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).