5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline

C17H27NO2 — CID 112514008

IUPAC5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1cc(OC)c2c(c1OC)C(C(C)C)NCC2
InChIInChI=1S/C17H27NO2/c1-6-7-12-10-14(19-4)13-8-9-18-16(11(2)3)15(13)17(12)20-5/h10-11,16,18H,6-9H2,1-5H3
InChIKeyDMAOXGMYQQYLLO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.50
Rot. Bonds5

About 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline

5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 112514008) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID112514008
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1cc(OC)c2c(c1OC)C(C(C)C)NCC2
InChIInChI=1S/C17H27NO2/c1-6-7-12-10-14(19-4)13-8-9-18-16(11(2)3)15(13)17(12)20-5/h10-11,16,18H,6-9H2,1-5H3
InChIKeyDMAOXGMYQQYLLO-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 112514013
6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 84608511
(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
CID 83956957
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
CID 83956961
5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66009081
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
CID 11444665
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 20529912
N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956932
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline (CID 112514008) is 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline is CCCc1cc(OC)c2c(c1OC)C(C(C)C)NCC2.
What is the InChIKey of 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DMAOXGMYQQYLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-7-12-10-14(19-4)13-8-9-18-16(11(2)3)15(13)17(12)20-5/h10-11,16,18H,6-9H2,1-5H3.
What are the key properties of 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 112514008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).