5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride

C24H36Cl2N2O2 — CID 3052114

IUPAC5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20;;/h5-9,17-18,25H,10-16H2,1-4H3;2*1H
InChIKeyAZJYMKOWUXUZCU-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.65
Rot. Bonds10

About 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride

5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride (PubChem CID 3052114) has the molecular formula C24H36Cl2N2O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride
PubChem CID3052114
Molecular FormulaC24H36Cl2N2O2
Molecular Weight455.47 g/mol
Exact Mass454.22
IUPAC Name5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20;;/h5-9,17-18,25H,10-16H2,1-4H3;2*1H
InChIKeyAZJYMKOWUXUZCU-UHFFFAOYSA-N
XLogP5.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride 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 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride?
The IUPAC name of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride (CID 3052114) is 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride.
What is the SMILES notation for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride?
The canonical SMILES for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride is Cc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2.Cl.Cl.
What is the InChIKey of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride?
The InChIKey is AZJYMKOWUXUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2.2ClH/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20;;/h5-9,17-18,25H,10-16H2,1-4H3;2*1H.
What are the key properties of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride?
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride has a molecular weight of 455.47 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine;dihydrochloride is sourced from PubChem (CID 3052114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).