N-(3-Chloro-2-methylphenyl){[2-(diethylamino)ethyl](methyl)amino}ethanimidic acid

HCID 54007

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Basic information

CAS: 77984-94-2
Standard SMILES: CCN(CC)CCN(C)CC(=O)Nc1cccc(Cl)c1C
InChIKey: XDWLZTCEOPEUBO-UHFFFAOYSA-N
Molecular formula: C16H26ClN3O
Average molar mass: 311.8 g/mol
Monoisotopic mass: 311.1764402

Names & identifiers

Preferred name: N-(3-Chloro-2-methylphenyl){[2-(diethylamino)ethyl](methyl)amino}ethanimidic acid
IUPAC: N-(3-chloro-2-methylphenyl)-2-[2-(diethylamino)ethyl-methylamino]acetamide

Names & synonyms

DTXSID20999220N-(3-Chloro-2-methylphenyl)-2-{[2-(diethylamino)ethyl](methyl)amino}ethanimidic acidN-(3-Chloro-2-methylphenyl){[2-(diethylamino)ethyl](methyl)amino}ethanimidic acid

Database identifiers

CAS: 77984-94-2
PubChem CID: 54007
DTXSID: DTXSID20999220

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 310

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