N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine

HCID 44478904

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1N
InChIKey: DAGZHANGSFFOOG-UHFFFAOYSA-N
Molecular formula: C16H14ClN3
Average molar mass: 283.75 g/mol

Names & identifiers

Preferred name: N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine
IUPAC: 1-N-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine

Names & synonyms

N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine1093101-72-4SCHEMBL3776216SCHEMBL31406748DAGZHANGSFFOOG-UHFFFAOYSA-NDA-15695N1-(4-chlorophenyl)-6-methylisoquinolin-1,5-diamine

Database identifiers

PubChem CID: 44478904

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 317

Related reactions

3 records

New reaction record

HRID 1042286As reactantuspto-grants-2013_10

HRID 1051277As productuspto-grants-2016_07

HRID 1750865As reactantuspto-grants-2015_10

Compound notes

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