4-methyl-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline

HCID 190352

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Basic information

CAS: 36236-40-5
Standard SMILES: CCOc1ccc(C(Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1
InChIKey: IIEVZFHJZUQMHI-UHFFFAOYSA-N
Molecular formula: C17H18Cl3NO
Average molar mass: 358.7 g/mol
Monoisotopic mass: 357.045397

Names & identifiers

Preferred name: 4-methyl-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline
IUPAC: 4-methyl-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline

Names & synonyms

36236-40-54-methyl-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]anilineSCHEMBL11781146DTXSID20957623Benzenemethanamine, 4-ethoxy-N-(4-methylphenyl)-alpha-(trichloromethyl)-

Database identifiers

CAS: 36236-40-5
PubChem CID: 190352
DTXSID: DTXSID20957623

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 318

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