2,2-dimethyl-1H-benzo[f]isoquinoline

C15H15N — CID 1247480

IUPAC2,2-dimethyl-1H-benzo[f]isoquinoline
SMILESCC1(C)Cc2c(ccc3ccccc23)C=N1
InChIInChI=1S/C15H15N/c1-15(2)9-14-12(10-16-15)8-7-11-5-3-4-6-13(11)14/h3-8,10H,9H2,1-2H3
InChIKeyRTOLSIPCOCJZSV-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.59
Rot. Bonds

About 2,2-dimethyl-1H-benzo[f]isoquinoline

2,2-dimethyl-1H-benzo[f]isoquinoline (PubChem CID 1247480) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-dimethyl-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name2,2-dimethyl-1H-benzo[f]isoquinoline
PubChem CID1247480
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name2,2-dimethyl-1H-benzo[f]isoquinoline
SMILESCC1(C)Cc2c(ccc3ccccc23)C=N1
InChIInChI=1S/C15H15N/c1-15(2)9-14-12(10-16-15)8-7-11-5-3-4-6-13(11)14/h3-8,10H,9H2,1-2H3
InChIKeyRTOLSIPCOCJZSV-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1H-benzo[f]isoquinoline?
The IUPAC name of 2,2-dimethyl-1H-benzo[f]isoquinoline (CID 1247480) is 2,2-dimethyl-1H-benzo[f]isoquinoline.
What is the SMILES notation for 2,2-dimethyl-1H-benzo[f]isoquinoline?
The canonical SMILES for 2,2-dimethyl-1H-benzo[f]isoquinoline is CC1(C)Cc2c(ccc3ccccc23)C=N1.
What is the InChIKey of 2,2-dimethyl-1H-benzo[f]isoquinoline?
The InChIKey is RTOLSIPCOCJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-15(2)9-14-12(10-16-15)8-7-11-5-3-4-6-13(11)14/h3-8,10H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1H-benzo[f]isoquinoline?
2,2-dimethyl-1H-benzo[f]isoquinoline has a molecular weight of 209.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1H-benzo[f]isoquinoline is sourced from PubChem (CID 1247480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).