1-{4-[1-(4-Amino-3-methyl-phenyl)-1-ethyl-propyl]-2-methyl-phenoxy}-3,3-dimethyl-butan-2-one

HCID 68452943
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Basic information

Standard SMILES
CCC(CC)(c1ccc(N)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
InChIKey
MNGAQMMMTBJDCG-UHFFFAOYSA-N
Molecular formula
C25H35NO2
Average molar mass
381.5 g/mol
Monoisotopic mass
381.26677936

Names & identifiers

Preferred name
1-{4-[1-(4-Amino-3-methyl-phenyl)-1-ethyl-propyl]-2-methyl-phenoxy}-3,3-dimethyl-butan-2-one
IUPAC
1-[4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one

Names & synonyms

SCHEMBL2946219MNGAQMMMTBJDCG-UHFFFAOYSA-N1-{4-[1-(4-amino-3-methyl-phenyl)-1-ethyl-propyl]-2-methyl-phenoxy}-3,3-dimethyl-butan-2-one

Database identifiers

PubChem CID
68452943

Properties

Computed structural properties

XLogP
7
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
28

Related reactions

6 records
New reaction record

Linked notes

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