1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone

C16H24BrNO2 — CID 82967209

IUPAC1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
SMILESCCC(CC)N(CCOC)c1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H24BrNO2/c1-5-14(6-2)18(9-10-20-4)16-11-13(17)7-8-15(16)12(3)19/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyGFFNCZSZWGTOIZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.29
Rot. Bonds8

About 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone

1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone (PubChem CID 82967209) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
PubChem CID82967209
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
SMILESCCC(CC)N(CCOC)c1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H24BrNO2/c1-5-14(6-2)18(9-10-20-4)16-11-13(17)7-8-15(16)12(3)19/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyGFFNCZSZWGTOIZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
3-[2-acetyl-5-bromo-N-(2-methoxyethyl)anilino]propanenitrile
CID 82966580
1-[4-bromo-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
CID 112660451
4-acetyl-3-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 113372801
1-[5-bromo-2-[methyl(pentan-3-yl)amino]phenyl]ethanone
CID 82967354
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
4-bromo-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 114903984
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
CID 82778702
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone (CID 82967209) is 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone is CCC(CC)N(CCOC)c1cc(Br)ccc1C(C)=O.
What is the InChIKey of 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone?
The InChIKey is GFFNCZSZWGTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-5-14(6-2)18(9-10-20-4)16-11-13(17)7-8-15(16)12(3)19/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone?
1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone has a molecular weight of 342.28 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82967209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).