N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine

C23H33N3O2 — CID 19897622

IUPACN-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCOc1cc2c(cc1OC)CN(CCCN(C)CCCc1ccncc1)CC2
InChIInChI=1S/C23H33N3O2/c1-25(12-4-6-19-7-10-24-11-8-19)13-5-14-26-15-9-20-16-22(27-2)23(28-3)17-21(20)18-26/h7-8,10-11,16-17H,4-6,9,12-15,18H2,1-3H3
InChIKeyJFNLXTTYJUIVOS-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.41
Rot. Bonds10

About N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine

N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 19897622) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID19897622
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCOc1cc2c(cc1OC)CN(CCCN(C)CCCc1ccncc1)CC2
InChIInChI=1S/C23H33N3O2/c1-25(12-4-6-19-7-10-24-11-8-19)13-5-14-26-15-9-20-16-22(27-2)23(28-3)17-21(20)18-26/h7-8,10-11,16-17H,4-6,9,12-15,18H2,1-3H3
InChIKeyJFNLXTTYJUIVOS-UHFFFAOYSA-N
XLogP3.41
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 174718958
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
6,7-dimethoxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 162476741
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]butan-1-amine
CID 62573755
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-propylbenzenesulfonamide
CID 21091955
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]prop-2-en-1-amine
CID 62573756
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127
6,7-dimethoxy-2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;dihydrate;trihydrochloride
CID 19804148

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine (CID 19897622) is N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine is COc1cc2c(cc1OC)CN(CCCN(C)CCCc1ccncc1)CC2.
What is the InChIKey of N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is JFNLXTTYJUIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-25(12-4-6-19-7-10-24-11-8-19)13-5-14-26-15-9-20-16-22(27-2)23(28-3)17-21(20)18-26/h7-8,10-11,16-17H,4-6,9,12-15,18H2,1-3H3.
What are the key properties of N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine?
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 383.54 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 19897622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).