2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C20H19N — CID 166633243

IUPAC2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H19N/c1-21-11-10-19-13-18(8-9-20(19)14-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11,14H2,1H3
InChIKeyCRZDBSBXIDUDDD-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.49
Rot. Bonds1

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

2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 166633243) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID166633243
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(-c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H19N/c1-21-11-10-19-13-18(8-9-20(19)14-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11,14H2,1H3
InChIKeyCRZDBSBXIDUDDD-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 166633243) is 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(-c3ccc4ccccc4c3)ccc2C1.
What is the InChIKey of 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CRZDBSBXIDUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-21-11-10-19-13-18(8-9-20(19)14-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11,14H2,1H3.
What are the key properties of 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 273.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166633243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).