1-(2,4-Dichloro-3-methylphenyl)-2-(dipentylamino)ethanol

HCID 224643

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Basic information

CAS: 5462-67-9
Standard SMILES: CCCCCN(CCCCC)CC(O)c1ccc(Cl)c(C)c1Cl
InChIKey: XZAYNBYDWJBGPA-UHFFFAOYSA-N
Molecular formula: C19H31Cl2NO
Average molar mass: 360.4 g/mol
Monoisotopic mass: 359.17827

Names & identifiers

Preferred name: 1-(2,4-Dichloro-3-methylphenyl)-2-(dipentylamino)ethanol
IUPAC: 1-(2,4-dichloro-3-methylphenyl)-2-(dipentylamino)ethanol

Names & synonyms

1-(2,4-dichloro-3-methylphenyl)-2-(dipentylamino)ethanol5462-67-9NSC13315DTXSID50279587NSC-133151-(2,4-Dichloro-3-methylphenyl)-2-(dipentylamino)ethan-1-ol

Database identifiers

CAS: 5462-67-9
PubChem CID: 224643
DTXSID: DTXSID50279587

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 23
Formal charge: 0
Complexity: 293

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