1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine

C22H31N3O2 — CID 56999917

IUPAC1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine
SMILESCOc1cc2c(cc1OC)CN(CCC(C)(N)CCc1cccnc1)CC2
InChIInChI=1S/C22H31N3O2/c1-22(23,8-6-17-5-4-10-24-15-17)9-12-25-11-7-18-13-20(26-2)21(27-3)14-19(18)16-25/h4-5,10,13-15H,6-9,11-12,16,23H2,1-3H3
InChIKeyOCJMAHDTLSKJEM-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.20
Rot. Bonds8

About 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine (PubChem CID 56999917) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine
PubChem CID56999917
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine
SMILESCOc1cc2c(cc1OC)CN(CCC(C)(N)CCc1cccnc1)CC2
InChIInChI=1S/C22H31N3O2/c1-22(23,8-6-17-5-4-10-24-15-17)9-12-25-11-7-18-13-20(26-2)21(27-3)14-19(18)16-25/h4-5,10,13-15H,6-9,11-12,16,23H2,1-3H3
InChIKeyOCJMAHDTLSKJEM-UHFFFAOYSA-N
XLogP3.20
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
CID 64791802
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-2-amine
CID 60853318
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-amine
CID 79811611
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112860750
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 19897622
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-(3-amino-3-methyl-4-pyridin-3-ylbutyl)-6,7-dimethyl-3,4-dihydroisoquinolin-1-one
CID 57104760
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-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109031276

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine (CID 56999917) is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine is COc1cc2c(cc1OC)CN(CCC(C)(N)CCc1cccnc1)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine?
The InChIKey is OCJMAHDTLSKJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-22(23,8-6-17-5-4-10-24-15-17)9-12-25-11-7-18-13-20(26-2)21(27-3)14-19(18)16-25/h4-5,10,13-15H,6-9,11-12,16,23H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine?
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine has a molecular weight of 369.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine is sourced from PubChem (CID 56999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).