8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C16H16ClN — CID 14493707

IUPAC8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cccc2C(c2ccccc2)C1
InChIInChI=1S/C16H16ClN/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11H2,1H3
InChIKeyPJIBWJPNKNAWGQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.92
Rot. Bonds1

About 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 14493707) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID14493707
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cccc2C(c2ccccc2)C1
InChIInChI=1S/C16H16ClN/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11H2,1H3
InChIKeyPJIBWJPNKNAWGQ-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;HBr
CID 13646438
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 4141883
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-methyl-piperazine
CID 13014692
(6S,10bR)-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13646442
(6S,10bR)-6-(3-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903116
(6S,10bR)-9-chloro-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903120
(10bS)-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 45265727
Mcn 5707
CID 126059
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462
2-Ethyl-4-phenyl-1,2,3,4-tetrahydro-isoquinoline
CID 9837609

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 14493707) is 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cccc2C(c2ccccc2)C1.
What is the InChIKey of 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PJIBWJPNKNAWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11H2,1H3.
What are the key properties of 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 257.76 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14493707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).