2-benzyl-1,1-dimethylisoquinoline

C18H19N — CID 21476494

IUPAC2-benzyl-1,1-dimethylisoquinoline
SMILESCC1(C)c2ccccc2C=CN1Cc1ccccc1
InChIInChI=1S/C18H19N/c1-18(2)17-11-7-6-10-16(17)12-13-19(18)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyLJAMMJLPKJZMOW-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.41
Rot. Bonds2

About 2-benzyl-1,1-dimethylisoquinoline

2-benzyl-1,1-dimethylisoquinoline (PubChem CID 21476494) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-benzyl-1,1-dimethylisoquinoline.

Molecular Properties

Compound Name2-benzyl-1,1-dimethylisoquinoline
PubChem CID21476494
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-benzyl-1,1-dimethylisoquinoline
SMILESCC1(C)c2ccccc2C=CN1Cc1ccccc1
InChIInChI=1S/C18H19N/c1-18(2)17-11-7-6-10-16(17)12-13-19(18)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyLJAMMJLPKJZMOW-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1-dimethylisoquinoline?
The IUPAC name of 2-benzyl-1,1-dimethylisoquinoline (CID 21476494) is 2-benzyl-1,1-dimethylisoquinoline.
What is the SMILES notation for 2-benzyl-1,1-dimethylisoquinoline?
The canonical SMILES for 2-benzyl-1,1-dimethylisoquinoline is CC1(C)c2ccccc2C=CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,1-dimethylisoquinoline?
The InChIKey is LJAMMJLPKJZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2)17-11-7-6-10-16(17)12-13-19(18)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of 2-benzyl-1,1-dimethylisoquinoline?
2-benzyl-1,1-dimethylisoquinoline has a molecular weight of 249.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1-dimethylisoquinoline is sourced from PubChem (CID 21476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).