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1-Benzyloxy-4-(3-dimethylaminopropoxy)benzene

HCID 2480942
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)CCCOc1ccc(OCc2ccccc2)cc1
InChIKey
QKRRRCYPBMVCRM-UHFFFAOYSA-N
Molecular formula
C18H23NO2
Average molar mass
285.4 g/mol

Names & identifiers

Preferred name
1-Benzyloxy-4-(3-dimethylaminopropoxy)benzene
IUPAC
N,N-dimethyl-3-(4-phenylmethoxyphenoxy)propan-1-amine

Names & synonyms

SCHEMBL10800722QKRRRCYPBMVCRM-UHFFFAOYSA-NAKOS0010947701-benzyloxy-4-(3-dimethylaminopropoxy)benzeneSR-01000064024SR-01000064024-1Z57686003

Database identifiers

PubChem CID
2480942

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
21
Formal charge
0
Complexity
256

Related reactions

2 records
New reaction record
HRID 145288 reaction equation
HRID 145288As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2417988 reaction equation
HRID 2417988As productuspto-grants-1984_09

Compound notes

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