2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline

C22H21N — CID 166628798

IUPAC2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C22H21N/c1-23-14-13-21-15-20(11-12-22(21)16-23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3
InChIKeyNPUUHGWIZDRQHR-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.01
Rot. Bonds2

About 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline

2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 166628798) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID166628798
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C22H21N/c1-23-14-13-21-15-20(11-12-22(21)16-23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3
InChIKeyNPUUHGWIZDRQHR-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline (CID 166628798) is 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2C1.
What is the InChIKey of 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NPUUHGWIZDRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-23-14-13-21-15-20(11-12-22(21)16-23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline?
2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 299.42 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).