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N-(2-chloroethyl)-2-phenylethanamine

HCID 21293877
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Basic information

Standard SMILES
ClCCNCCc1ccccc1
InChIKey
OLPIVHQXWIKOMC-UHFFFAOYSA-N
Molecular formula
C10H14ClN
Average molar mass
183.68 g/mol

Names & identifiers

Preferred name
N-(2-chloroethyl)-2-phenylethanamine
IUPAC
N-(2-chloroethyl)-2-phenylethanamine

Names & synonyms

SCHEMBL250542AKOS014311305

Database identifiers

PubChem CID
21293877

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
100

Related reactions

2 records
New reaction record
HRID 90474 reaction equation
HRID 90474As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 943664 reaction equation
HRID 943664As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes