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2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine

HCID 9904841
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 170165 reaction equation
HRID 170165As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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