4-amino-1-(2-bromophenyl)-3-methylbutan-1-one

C11H14BrNO — CID 116916169

IUPAC4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyCKOAPCBRZPLVAP-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one

4-amino-1-(2-bromophenyl)-3-methylbutan-1-one (PubChem CID 116916169) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
PubChem CID116916169
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyCKOAPCBRZPLVAP-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
diethyl 2-[4-(2-bromophenyl)-4-oxobutan-2-yl]propanedioate
CID 134999759
3-amino-1-(2-bromophenyl)pentan-1-one
CID 81462482
4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
3-amino-1-(2-bromophenyl)-5-methoxypentan-1-one
CID 103967309
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
4-amino-1-isoquinolin-4-yl-3-methylbutan-1-one
CID 116596552
4-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116596674
1-(2-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412759
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one (CID 116916169) is 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one is CC(CN)CC(=O)c1ccccc1Br.
What is the InChIKey of 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one?
The InChIKey is CKOAPCBRZPLVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one?
4-amino-1-(2-bromophenyl)-3-methylbutan-1-one has a molecular weight of 256.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromophenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116916169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).