1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone

C16H26N2O — CID 104612406

IUPAC1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
SMILESCCC(CC)CN(CC)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C16H26N2O/c1-5-13(6-2)11-18(7-3)14-8-9-16(17)15(10-14)12(4)19/h8-10,13H,5-7,11,17H2,1-4H3
InChIKeyOXBZMDOLWKBJMZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.73
Rot. Bonds7

About 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone

1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone (PubChem CID 104612406) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
PubChem CID104612406
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
SMILESCCC(CC)CN(CC)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C16H26N2O/c1-5-13(6-2)11-18(7-3)14-8-9-16(17)15(10-14)12(4)19/h8-10,13H,5-7,11,17H2,1-4H3
InChIKeyOXBZMDOLWKBJMZ-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxyquinoline
CID 69141
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
1-Methyl-4-quinolone
CID 6748
Solvent Blue 14
CID 75847
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
Solvent Blue 59
CID 81473
2,3-Dimethylquinolin-4-OL
CID 237396
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone (CID 104612406) is 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone is CCC(CC)CN(CC)c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone?
The InChIKey is OXBZMDOLWKBJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(6-2)11-18(7-3)14-8-9-16(17)15(10-14)12(4)19/h8-10,13H,5-7,11,17H2,1-4H3.
What are the key properties of 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone?
1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone is sourced from PubChem (CID 104612406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).