4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline

C16H19N — CID 55068561

IUPAC4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESCCCC1NCCc2c1ccc1ccccc21
InChIInChI=1S/C16H19N/c1-2-5-16-15-9-8-12-6-3-4-7-13(12)14(15)10-11-17-16/h3-4,6-9,16-17H,2,5,10-11H2,1H3
InChIKeyBYRMWCBESVJRJV-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.83
Rot. Bonds2

About 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline

4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (PubChem CID 55068561) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
PubChem CID55068561
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESCCCC1NCCc2c1ccc1ccccc21
InChIInChI=1S/C16H19N/c1-2-5-16-15-9-8-12-6-3-4-7-13(12)14(15)10-11-17-16/h3-4,6-9,16-17H,2,5,10-11H2,1H3
InChIKeyBYRMWCBESVJRJV-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The IUPAC name of 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (CID 55068561) is 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline.
What is the SMILES notation for 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The canonical SMILES for 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is CCCC1NCCc2c1ccc1ccccc21.
What is the InChIKey of 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The InChIKey is BYRMWCBESVJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-5-16-15-9-8-12-6-3-4-7-13(12)14(15)10-11-17-16/h3-4,6-9,16-17H,2,5,10-11H2,1H3.
What are the key properties of 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline has a molecular weight of 225.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is sourced from PubChem (CID 55068561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).