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

C11H14BrNO3 — CID 117464809

IUPAC3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(Br)c1OC
InChIInChI=1S/C11H14BrNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4H,5-6,13H2,1-2H3
InChIKeyQKDIRLWMTVQWIS-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.00
Rot. Bonds5

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

3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one (PubChem CID 117464809) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
PubChem CID117464809
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(Br)c1OC
InChIInChI=1S/C11H14BrNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4H,5-6,13H2,1-2H3
InChIKeyQKDIRLWMTVQWIS-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
6-amino-1-(3-bromo-2,4-dimethoxyphenyl)-4-methylhexan-1-one
CID 103524296
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one
CID 103523080
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one (CID 117464809) is 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)CCN)c(Br)c1OC.
What is the InChIKey of 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is QKDIRLWMTVQWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one?
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 288.14 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 117464809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).