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

C10H12BrNO2 — CID 117398348

IUPAC3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(Br)cc(C(=O)CCN)c1O
InChIInChI=1S/C10H12BrNO2/c1-6-4-7(11)5-8(10(6)14)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyCNNDPAIVMWTANX-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.99
Rot. Bonds3

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

3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one (PubChem CID 117398348) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
PubChem CID117398348
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(Br)cc(C(=O)CCN)c1O
InChIInChI=1S/C10H12BrNO2/c1-6-4-7(11)5-8(10(6)14)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyCNNDPAIVMWTANX-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82281454
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3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
3-amino-1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 117456967
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
CID 62381217
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
CID 84774234
3-amino-1-(5-tert-butyl-2,3-dihydroxyphenyl)propan-1-one
CID 117347056
3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
CID 84809538
3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
CID 84810800
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one (CID 117398348) is 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one is Cc1cc(Br)cc(C(=O)CCN)c1O.
What is the InChIKey of 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one?
The InChIKey is CNNDPAIVMWTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-4-7(11)5-8(10(6)14)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one?
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one has a molecular weight of 258.11 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 117398348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).