3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline

C18H19N — CID 619217

IUPAC3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1
InChIInChI=1S/C18H19N/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyBNTLTMLDYJYRTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.05
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline

3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline (PubChem CID 619217) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline
PubChem CID619217
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1
InChIInChI=1S/C18H19N/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyBNTLTMLDYJYRTH-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline (CID 619217) is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline is CC1Cc2ccccc2C(CCc2ccccc2)=N1.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The InChIKey is BNTLTMLDYJYRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline has a molecular weight of 249.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 619217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).