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Compound
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
HCID
9904841
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Basic information
Standard SMILES
CCC(c1cccc(OC)c1)C(Cc1ccccc1)CN(C)C
InChIKey
RIRGDDGLWLBJGQ-UHFFFAOYSA-N
Molecular formula
C21H29NO
Average molar mass
311.5 g/mol
Names & identifiers
Preferred name
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
IUPAC
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
Names & synonyms
SCHEMBL7121848
Database identifiers
PubChem CID
9904841
Properties
Computed structural properties
XLogP
5.3
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
23
Formal charge
0
Complexity
311
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Related reactions
1 records
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As solvent
HRID
170165
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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