1-(2-chlorophenyl)-3,4-dihydroisoquinoline

C15H12ClN — CID 10490322

IUPAC1-(2-chlorophenyl)-3,4-dihydroisoquinoline
SMILESClc1ccccc1C1=NCCc2ccccc21
InChIInChI=1S/C15H12ClN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8H,9-10H2
InChIKeyYTPVNYPJOQKPQB-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.73
Rot. Bonds1

About 1-(2-chlorophenyl)-3,4-dihydroisoquinoline

1-(2-chlorophenyl)-3,4-dihydroisoquinoline (PubChem CID 10490322) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,4-dihydroisoquinoline
PubChem CID10490322
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name1-(2-chlorophenyl)-3,4-dihydroisoquinoline
SMILESClc1ccccc1C1=NCCc2ccccc21
InChIInChI=1S/C15H12ClN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8H,9-10H2
InChIKeyYTPVNYPJOQKPQB-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(2-chlorophenyl)-3,4-dihydroisoquinoline (CID 10490322) is 1-(2-chlorophenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(2-chlorophenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(2-chlorophenyl)-3,4-dihydroisoquinoline is Clc1ccccc1C1=NCCc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3,4-dihydroisoquinoline?
The InChIKey is YTPVNYPJOQKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-3,4-dihydroisoquinoline?
1-(2-chlorophenyl)-3,4-dihydroisoquinoline has a molecular weight of 241.72 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 10490322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).