3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline

C20H23N — CID 134425777

IUPAC3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCCC1Cc2cc(CCc3ccccc3)c(C)cc2C=N1
InChIInChI=1S/C20H23N/c1-3-20-13-18-12-17(15(2)11-19(18)14-21-20)10-9-16-7-5-4-6-8-16/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3
InChIKeyXUQXIYYLZJQCOG-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.53
Rot. Bonds4

About 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline

3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline (PubChem CID 134425777) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline
PubChem CID134425777
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCCC1Cc2cc(CCc3ccccc3)c(C)cc2C=N1
InChIInChI=1S/C20H23N/c1-3-20-13-18-12-17(15(2)11-19(18)14-21-20)10-9-16-7-5-4-6-8-16/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3
InChIKeyXUQXIYYLZJQCOG-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline (CID 134425777) is 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline is CCC1Cc2cc(CCc3ccccc3)c(C)cc2C=N1.
What is the InChIKey of 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline?
The InChIKey is XUQXIYYLZJQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-20-13-18-12-17(15(2)11-19(18)14-21-20)10-9-16-7-5-4-6-8-16/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline?
3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline has a molecular weight of 277.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-6-(2-phenylethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 134425777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).