2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one

C11H14BrNO3 — CID 84814233

IUPAC2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N)c(OC)c1Br
InChIInChI=1S/C11H14BrNO3/c1-6(13)10(14)7-4-5-8(15-2)9(12)11(7)16-3/h4-6H,13H2,1-3H3
InChIKeyNOYWISMEHFSIDV-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one

2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one (PubChem CID 84814233) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
PubChem CID84814233
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N)c(OC)c1Br
InChIInChI=1S/C11H14BrNO3/c1-6(13)10(14)7-4-5-8(15-2)9(12)11(7)16-3/h4-6H,13H2,1-3H3
InChIKeyNOYWISMEHFSIDV-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-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

1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxybutan-1-one
CID 103523128
1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethanone
CID 103524366
6-amino-1-(3-bromo-2,4-dimethoxyphenyl)-4-methylhexan-1-one
CID 103524296
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxy-3-methylbutan-1-one
CID 103524399
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one (CID 84814233) is 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N)c(OC)c1Br.
What is the InChIKey of 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one?
The InChIKey is NOYWISMEHFSIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6(13)10(14)7-4-5-8(15-2)9(12)11(7)16-3/h4-6H,13H2,1-3H3.
What are the key properties of 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one?
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one has a molecular weight of 288.14 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 84814233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).