7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline

C14H21NO2 — CID 106780647

IUPAC7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(COC(C)C)NCC2
InChIInChI=1S/C14H21NO2/c1-10(2)17-9-14-13-8-12(16-3)5-4-11(13)6-7-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3
InChIKeyIHOQAWJCYJNIHL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds4

About 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106780647) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106780647
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(COC(C)C)NCC2
InChIInChI=1S/C14H21NO2/c1-10(2)17-9-14-13-8-12(16-3)5-4-11(13)6-7-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3
InChIKeyIHOQAWJCYJNIHL-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970440
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
1-[(4-chlorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10065439
1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 119082441
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779224

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline (CID 106780647) is 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(COC(C)C)NCC2.
What is the InChIKey of 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IHOQAWJCYJNIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-9-14-13-8-12(16-3)5-4-11(13)6-7-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3.
What are the key properties of 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106780647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).