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

C19H26Cl2N2O2 — CID 3052096

IUPAC2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCN(C)C)COC2.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-14-19(23-10-9-21(2)3)17-13-22-12-16(17)18(20-14)11-15-7-5-4-6-8-15;;/h4-8H,9-13H2,1-3H3;2*1H
InChIKeyYMVNLPSBMQOPAQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.80
Rot. Bonds6

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

2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride (PubChem CID 3052096) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride
PubChem CID3052096
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCN(C)C)COC2.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-14-19(23-10-9-21(2)3)17-13-22-12-16(17)18(20-14)11-15-7-5-4-6-8-15;;/h4-8H,9-13H2,1-3H3;2*1H
InChIKeyYMVNLPSBMQOPAQ-UHFFFAOYSA-N
XLogP3.80
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride?
The IUPAC name of 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride (CID 3052096) is 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride?
The canonical SMILES for 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride is Cc1nc(Cc2ccccc2)c2c(c1OCCN(C)C)COC2.Cl.Cl.
What is the InChIKey of 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride?
The InChIKey is YMVNLPSBMQOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.2ClH/c1-14-19(23-10-9-21(2)3)17-13-22-12-16(17)18(20-14)11-15-7-5-4-6-8-15;;/h4-8H,9-13H2,1-3H3;2*1H.
What are the key properties of 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride?
2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine;dihydrochloride is sourced from PubChem (CID 3052096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).