3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one

C11H14BrNO2 — CID 84809538

IUPAC3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1cc(C)c(Br)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO2/c1-7-5-8(15-2)6-9(11(7)12)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyVRDHVKQFKIJTFF-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one

3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one (PubChem CID 84809538) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
PubChem CID84809538
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1cc(C)c(Br)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO2/c1-7-5-8(15-2)6-9(11(7)12)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyVRDHVKQFKIJTFF-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
2-bromo-5-methoxy-3-methylbenzoyl chloride
CID 171004545
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one (CID 84809538) is 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one is COc1cc(C)c(Br)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one?
The InChIKey is VRDHVKQFKIJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-5-8(15-2)6-9(11(7)12)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one?
3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one has a molecular weight of 272.14 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 84809538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).