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

C24H36Cl2N2O2 — CID 3052108

IUPAC3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride
SMILESCCCN(CCC)CCCOc1c(C)nc(Cc2ccccc2)c2c1COC2.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-4-12-26(13-5-2)14-9-15-28-24-19(3)25-23(21-17-27-18-22(21)24)16-20-10-7-6-8-11-20;;/h6-8,10-11H,4-5,9,12-18H2,1-3H3;2*1H
InChIKeyGTHOCPFEQYUMHP-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.75
Rot. Bonds11

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

3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride (PubChem CID 3052108) has the molecular formula C24H36Cl2N2O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride
PubChem CID3052108
Molecular FormulaC24H36Cl2N2O2
Molecular Weight455.47 g/mol
Exact Mass454.22
IUPAC Name3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride
SMILESCCCN(CCC)CCCOc1c(C)nc(Cc2ccccc2)c2c1COC2.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-4-12-26(13-5-2)14-9-15-28-24-19(3)25-23(21-17-27-18-22(21)24)16-20-10-7-6-8-11-20;;/h6-8,10-11H,4-5,9,12-18H2,1-3H3;2*1H
InChIKeyGTHOCPFEQYUMHP-UHFFFAOYSA-N
XLogP5.75
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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,N-dipropylpropan-1-amine;dihydrochloride?
The IUPAC name of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride (CID 3052108) is 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride?
The canonical SMILES for 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride is CCCN(CCC)CCCOc1c(C)nc(Cc2ccccc2)c2c1COC2.Cl.Cl.
What is the InChIKey of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride?
The InChIKey is GTHOCPFEQYUMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2.2ClH/c1-4-12-26(13-5-2)14-9-15-28-24-19(3)25-23(21-17-27-18-22(21)24)16-20-10-7-6-8-11-20;;/h6-8,10-11H,4-5,9,12-18H2,1-3H3;2*1H.
What are the key properties of 3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride?
3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine;dihydrochloride has a molecular weight of 455.47 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 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,N-dipropylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 3052108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).