1-[3-Amino-4-(isobutylamino)phenyl]ethanone

HCID 59569010
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Basic information

Standard SMILES
CC(=O)c1ccc(NCC(C)C)c(N)c1
InChIKey
BKKCKKKXTOHCCN-UHFFFAOYSA-N
Molecular formula
C12H18N2O
Average molar mass
206.28 g/mol
Monoisotopic mass
206.1419132

Names & identifiers

Preferred name
1-[3-Amino-4-(isobutylamino)phenyl]ethanone
IUPAC
1-[3-amino-4-(2-methylpropylamino)phenyl]ethanone

Names & synonyms

1-[3-amino-4-(isobutylamino)phenyl]ethanoneSCHEMBL3440911BKKCKKKXTOHCCN-UHFFFAOYSA-N

Database identifiers

PubChem CID
59569010

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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