2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline

C16H17N — CID 155698266

IUPAC2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccccc3)ccc2C1
InChIInChI=1S/C16H17N/c1-17-10-9-15-11-14(7-8-16(15)12-17)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyFASOEULBBMTTEO-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.34
Rot. Bonds1

About 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline

2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155698266) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID155698266
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccccc3)ccc2C1
InChIInChI=1S/C16H17N/c1-17-10-9-15-11-14(7-8-16(15)12-17)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyFASOEULBBMTTEO-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline (CID 155698266) is 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(-c3ccccc3)ccc2C1.
What is the InChIKey of 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FASOEULBBMTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-17-10-9-15-11-14(7-8-16(15)12-17)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline?
2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155698266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).