3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one

C10H12BrNO3 — CID 117437436

IUPAC3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(Br)cc1O
InChIInChI=1S/C10H12BrNO3/c1-15-10-4-6(8(13)2-3-12)7(11)5-9(10)14/h4-5,14H,2-3,12H2,1H3
InChIKeyIDULEMRHCLVRHR-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one

3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one (PubChem CID 117437436) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
PubChem CID117437436
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(Br)cc1O
InChIInChI=1S/C10H12BrNO3/c1-15-10-4-6(8(13)2-3-12)7(11)5-9(10)14/h4-5,14H,2-3,12H2,1H3
InChIKeyIDULEMRHCLVRHR-UHFFFAOYSA-N
XLogP1.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117376253
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one (CID 117437436) is 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one is COc1cc(C(=O)CCN)c(Br)cc1O.
What is the InChIKey of 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one?
The InChIKey is IDULEMRHCLVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-15-10-4-6(8(13)2-3-12)7(11)5-9(10)14/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one?
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one has a molecular weight of 274.11 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117437436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).