6-chloro-1-phenyl-3,4-dihydroisoquinoline

C15H12ClN — CID 10562105

IUPAC6-chloro-1-phenyl-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)CCN=C2c1ccccc1
InChIInChI=1S/C15H12ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyUVZURCZHSZKZMQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.73
Rot. Bonds1

About 6-chloro-1-phenyl-3,4-dihydroisoquinoline

6-chloro-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 10562105) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-chloro-1-phenyl-3,4-dihydroisoquinoline
PubChem CID10562105
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name6-chloro-1-phenyl-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)CCN=C2c1ccccc1
InChIInChI=1S/C15H12ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyUVZURCZHSZKZMQ-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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Related Compounds

1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
6-(3-Chlorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026744
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
CID 3067280
1-(3-Chlorophenyl)-3,4-dihydroisoquinoline
CID 10847715
3-(4-Chloro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785914
2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)amino]-N,N-dimethylethanamine
CID 21483782
7-Chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 71374370
8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepine
CID 13271760
2-(5-Chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/2)
CID 3068599
3-Isoquinolinemethanamine, 3,4-dihydro-7-chloro-N,N-dimethyl-1-(2-fluorophenyl)-, hydrochloride, hydrate (1:2:1)
CID 3068607

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-chloro-1-phenyl-3,4-dihydroisoquinoline (CID 10562105) is 6-chloro-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-chloro-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-chloro-1-phenyl-3,4-dihydroisoquinoline is Clc1ccc2c(c1)CCN=C2c1ccccc1.
What is the InChIKey of 6-chloro-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is UVZURCZHSZKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 6-chloro-1-phenyl-3,4-dihydroisoquinoline?
6-chloro-1-phenyl-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 6-chloro-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 10562105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).