3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one

C12H15BrFNO — CID 116606355

IUPAC3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-7(2)11(15)6-12(16)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3
InChIKeySPVVRHROASANRC-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one

3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one (PubChem CID 116606355) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one
PubChem CID116606355
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-7(2)11(15)6-12(16)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3
InChIKeySPVVRHROASANRC-UHFFFAOYSA-N
XLogP3.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599000
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988101

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one (CID 116606355) is 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one is CC(C)C(N)CC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one?
The InChIKey is SPVVRHROASANRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-7(2)11(15)6-12(16)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3.
What are the key properties of 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one?
3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one has a molecular weight of 288.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one is sourced from PubChem (CID 116606355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).