2-[(Dimethylamino)methyl]-4-[4-(4-methoxyphenyl)hexan-3-yl]phenol

HCID 359405

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Basic information

CAS: 109546-09-0
Standard SMILES: CCC(c1ccc(OC)cc1)C(CC)c1ccc(O)c(CN(C)C)c1
InChIKey: YKKNAUUKHXFHON-UHFFFAOYSA-N
Molecular formula: C22H31NO2
Average molar mass: 341.5 g/mol
Monoisotopic mass: 341.23547923

Names & identifiers

Preferred name: 2-[(Dimethylamino)methyl]-4-[4-(4-methoxyphenyl)hexan-3-yl]phenol
IUPAC: 2-[(dimethylamino)methyl]-4-[4-(4-methoxyphenyl)hexan-3-yl]phenol

Names & synonyms

NSC620251DTXSID6011593132-[(Dimethylamino)methyl]-4-[1-ethyl-2-(4-methoxyphenyl)butyl]phenol2-[(dimethylamino)methyl]-4-[4-(4-methoxyphenyl)hexan-3-yl]phenolNSC-620251109546-09-0

Database identifiers

CAS: 109546-09-0
PubChem CID: 359405
DTXSID: DTXSID601159313

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 365

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