1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline

C18H23N — CID 64687617

IUPAC1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESCC(C)CC1NCc2ccc3ccccc3c2C1C
InChIInChI=1S/C18H23N/c1-12(2)10-17-13(3)18-15(11-19-17)9-8-14-6-4-5-7-16(14)18/h4-9,12-13,17,19H,10-11H2,1-3H3
InChIKeyIBILXKICQJUYKW-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.46
Rot. Bonds2

About 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline

1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline (PubChem CID 64687617) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline
PubChem CID64687617
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESCC(C)CC1NCc2ccc3ccccc3c2C1C
InChIInChI=1S/C18H23N/c1-12(2)10-17-13(3)18-15(11-19-17)9-8-14-6-4-5-7-16(14)18/h4-9,12-13,17,19H,10-11H2,1-3H3
InChIKeyIBILXKICQJUYKW-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline (CID 64687617) is 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline is CC(C)CC1NCc2ccc3ccccc3c2C1C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The InChIKey is IBILXKICQJUYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12(2)10-17-13(3)18-15(11-19-17)9-8-14-6-4-5-7-16(14)18/h4-9,12-13,17,19H,10-11H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline has a molecular weight of 253.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline is sourced from PubChem (CID 64687617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).