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3-[(Ethylamino)methyl]-2-methylaniline

HCID 22170256
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNCc1cccc(N)c1C
InChIKey
ZFWSPHRXFOTIPX-UHFFFAOYSA-N
Molecular formula
C10H16N2
Average molar mass
164.25 g/mol
Monoisotopic mass
164.13134852

Names & identifiers

Preferred name
3-[(Ethylamino)methyl]-2-methylaniline
IUPAC
3-(ethylaminomethyl)-2-methylaniline

Names & synonyms

SCHEMBL5929820ZFWSPHRXFOTIPX-UHFFFAOYSA-NAKOS0201850333-[(Ethylamino)methyl]-2-methylaniline

Database identifiers

PubChem CID
22170256

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
125

Related reactions

2 records
New reaction record
HRID 119937 reaction equation
HRID 119937As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1822867 reaction equation
HRID 1822867As productuspto-grants-2006_05

Compound notes

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