2-[(Dimethylamino)methyl]-4,6-di(octan-2-yl)phenol

HCID 223239

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Basic information

CAS: 13224-88-9
Standard SMILES: CCCCCCC(C)c1cc(CN(C)C)c(O)c(C(C)CCCCCC)c1
InChIKey: KDBCJZYXOWUJCI-UHFFFAOYSA-N
Molecular formula: C25H45NO
Average molar mass: 375.6 g/mol
Monoisotopic mass: 375.35011506

Names & identifiers

Preferred name: 2-[(Dimethylamino)methyl]-4,6-di(octan-2-yl)phenol
IUPAC: 2-[(dimethylamino)methyl]-4,6-di(octan-2-yl)phenol

Names & synonyms

13224-88-92-[(dimethylamino)methyl]-4,6-di(octan-2-yl)phenolNSC10670DTXSID70927593Phenol,2-[(dimethylamino)methyl]-4,6-bis(1-methylheptyl)-NSC-10670DS-012181

Database identifiers

CAS: 13224-88-9
PubChem CID: 223239
DTXSID: DTXSID70927593

Properties

Computed structural properties

XLogP: 9.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 14
Heavy atoms: 27
Formal charge: 0
Complexity: 356

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