4-(4-Bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline

HCID 10177211

Notes Reactions

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Basic information

Standard SMILES: CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(Br)cc2)C1
InChIKey: OGVXGNOUQNLCAU-UHFFFAOYSA-N
Molecular formula: C16H14BrCl2N
Average molar mass: 371.1 g/mol

Names & identifiers

Preferred name: 4-(4-Bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline
IUPAC: 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline

Names & synonyms

SCHEMBL2573546OGVXGNOUQNLCAU-UHFFFAOYSA-N4-(4-Bromo-phenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-isoquinoline4-(4-bromo-phenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline4-(4-bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline

Database identifiers

PubChem CID: 10177211

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 332

Related reactions

16 records

New reaction record

HRID 45654As productuspto-grants-2013_09

HRID 45655As reactantuspto-grants-2013_09

HRID 671326As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 870146As productuspto-grants-2015_03

HRID 870147As reactantuspto-grants-2015_03

HRID 936136As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1072507As productuspto-grants-2005_06

HRID 1072508As reactantuspto-grants-2005_06

Compound notes

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