(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine

C15H24N2O2 — CID 83956957

IUPAC(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
SMILESCCCC1NCCc2c(OC)c(CN)cc(OC)c21
InChIInChI=1S/C15H24N2O2/c1-4-5-12-14-11(6-7-17-12)15(19-3)10(9-16)8-13(14)18-2/h8,12,17H,4-7,9,16H2,1-3H3
InChIKeyCPRGXCGKJNDJBQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds5

About (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine

(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine (PubChem CID 83956957) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
PubChem CID83956957
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
SMILESCCCC1NCCc2c(OC)c(CN)cc(OC)c21
InChIInChI=1S/C15H24N2O2/c1-4-5-12-14-11(6-7-17-12)15(19-3)10(9-16)8-13(14)18-2/h8,12,17H,4-7,9,16H2,1-3H3
InChIKeyCPRGXCGKJNDJBQ-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
CID 83956961
8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 67538348
5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 112514008
N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956932
(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956740
1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83957001
1,2-diethyl-5,8-dimethoxy-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721755
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
ethyl 6-(aminomethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956458
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6919090
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616

Frequently Asked Questions

What is the IUPAC name of (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine?
The IUPAC name of (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine (CID 83956957) is (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine.
What is the SMILES notation for (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine?
The canonical SMILES for (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine is CCCC1NCCc2c(OC)c(CN)cc(OC)c21.
What is the InChIKey of (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine?
The InChIKey is CPRGXCGKJNDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-12-14-11(6-7-17-12)15(19-3)10(9-16)8-13(14)18-2/h8,12,17H,4-7,9,16H2,1-3H3.
What are the key properties of (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine?
(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine has a molecular weight of 264.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine is sourced from PubChem (CID 83956957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).