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2-(4-Chlorobenzyloxy)-1-methylethylamine

HCID 18972760
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(N)COCc1ccc(Cl)cc1
InChIKey
DUEJKJUIBFUTCF-UHFFFAOYSA-N
Molecular formula
C10H14ClNO
Average molar mass
199.68 g/mol

Names & identifiers

Preferred name
2-(4-Chlorobenzyloxy)-1-methylethylamine
IUPAC
1-[(4-chlorophenyl)methoxy]propan-2-amine

Names & synonyms

2-(4-Chloro-benzyloxy)-1-methyl-ethylamineSCHEMBL8607141DUEJKJUIBFUTCF-UHFFFAOYSA-N2-(4-chlorobenzyloxy)-1-methylethylamine

Database identifiers

PubChem CID
18972760

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
135

Related reactions

2 records
New reaction record
HRID 182823 reaction equation
HRID 182823As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1900183 reaction equation
HRID 1900183As reactantuspto-grants-1996_11

Compound notes

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