3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine

C21H28N2O2 — CID 3052107

IUPAC3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCCNC(C)C)COC2
InChIInChI=1S/C21H28N2O2/c1-15(2)22-10-7-11-25-21-16(3)23-20(18-13-24-14-19(18)21)12-17-8-5-4-6-9-17/h4-6,8-9,15,22H,7,10-14H2,1-3H3
InChIKeyZRHXQLVJVCBBAJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.78
Rot. Bonds8

About 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine

3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine (PubChem CID 3052107) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine
PubChem CID3052107
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCCNC(C)C)COC2
InChIInChI=1S/C21H28N2O2/c1-15(2)22-10-7-11-25-21-16(3)23-20(18-13-24-14-19(18)21)12-17-8-5-4-6-9-17/h4-6,8-9,15,22H,7,10-14H2,1-3H3
InChIKeyZRHXQLVJVCBBAJ-UHFFFAOYSA-N
XLogP3.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-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 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine (CID 3052107) is 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine is Cc1nc(Cc2ccccc2)c2c(c1OCCCNC(C)C)COC2.
What is the InChIKey of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is ZRHXQLVJVCBBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)22-10-7-11-25-21-16(3)23-20(18-13-24-14-19(18)21)12-17-8-5-4-6-9-17/h4-6,8-9,15,22H,7,10-14H2,1-3H3.
What are the key properties of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine?
3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 3052107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).