6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline

C17H25NO2 — CID 123339931

IUPAC6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1C)C=NC(C(C)C)C2
InChIInChI=1S/C17H25NO2/c1-12(2)16-9-14-10-17(20-7-5-6-19-4)13(3)8-15(14)11-18-16/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyFFDCJYASWZUMQL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds6

About 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline

6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline (PubChem CID 123339931) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
PubChem CID123339931
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1C)C=NC(C(C)C)C2
InChIInChI=1S/C17H25NO2/c1-12(2)16-9-14-10-17(20-7-5-6-19-4)13(3)8-15(14)11-18-16/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyFFDCJYASWZUMQL-UHFFFAOYSA-N
XLogP3.41
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
CID 138672844
7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline
CID 121301684
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
CID 143499905
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
4-(4-methoxybutoxy)-2,5-dimethylaniline
CID 104646777
6-(3-ethoxypropoxy)-7-methoxy-3-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline
CID 118279093
3-chloro-2-(3-methoxypropoxy)-7,8,9,10,11,11a-hexahydro-6aH-cyclohepta[c]isoquinoline
CID 126538018
methyl 9-chloro-8-(3-methoxypropoxy)-2-oxo-5-propan-2-yl-5,6-dihydro-1H-1,10-phenanthroline-3-carboxylate
CID 155766445
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline (CID 123339931) is 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline is COCCCOc1cc2c(cc1C)C=NC(C(C)C)C2.
What is the InChIKey of 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The InChIKey is FFDCJYASWZUMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)16-9-14-10-17(20-7-5-6-19-4)13(3)8-15(14)11-18-16/h8,10-12,16H,5-7,9H2,1-4H3.
What are the key properties of 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline has a molecular weight of 275.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 123339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).