2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline

C15H25NO — CID 171523692

IUPAC2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline
SMILESCCC1C=C(COC)C2=C(C1)CN(CC)CC2
InChIInChI=1S/C15H25NO/c1-4-12-8-13-10-16(5-2)7-6-15(13)14(9-12)11-17-3/h9,12H,4-8,10-11H2,1-3H3
InChIKeyDSZPKPRICYSVDD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.01
Rot. Bonds4

About 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline

2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline (PubChem CID 171523692) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline
PubChem CID171523692
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline
SMILESCCC1C=C(COC)C2=C(C1)CN(CC)CC2
InChIInChI=1S/C15H25NO/c1-4-12-8-13-10-16(5-2)7-6-15(13)14(9-12)11-17-3/h9,12H,4-8,10-11H2,1-3H3
InChIKeyDSZPKPRICYSVDD-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline?
The IUPAC name of 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline (CID 171523692) is 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline?
The canonical SMILES for 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline is CCC1C=C(COC)C2=C(C1)CN(CC)CC2.
What is the InChIKey of 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline?
The InChIKey is DSZPKPRICYSVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12-8-13-10-16(5-2)7-6-15(13)14(9-12)11-17-3/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline?
2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline has a molecular weight of 235.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 171523692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).