6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C16H15Cl2N — CID 22386807

IUPAC6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1
InChIInChI=1S/C16H15Cl2N/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19/h2-8,14H,9-10H2,1H3
InChIKeySHBPZIGBKLSQFG-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.57
Rot. Bonds1

About 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22386807) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID22386807
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1
InChIInChI=1S/C16H15Cl2N/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19/h2-8,14H,9-10H2,1H3
InChIKeySHBPZIGBKLSQFG-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S,10bR)-9-chloro-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903120
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462
4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9838350
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202973
2,2'-Hexylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299671
2,2'-Butylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299685
7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 45262913
1'-benzyl-7-chlorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54583823
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
1-Benzyl-4-(2,4-dichlorobenzyl)piperazine
CID 409922

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 22386807) is 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1.
What is the InChIKey of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is SHBPZIGBKLSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19/h2-8,14H,9-10H2,1H3.
What are the key properties of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 292.21 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22386807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).