5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one

C12H16BrNO — CID 116940760

IUPAC5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
SMILESCC(=O)CCC(N)c1cc(Br)ccc1C
InChIInChI=1S/C12H16BrNO/c1-8-3-5-10(13)7-11(8)12(14)6-4-9(2)15/h3,5,7,12H,4,6,14H2,1-2H3
InChIKeyAKDRXWVNLOMYCT-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.13
Rot. Bonds4

About 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one

5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one (PubChem CID 116940760) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
PubChem CID116940760
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
SMILESCC(=O)CCC(N)c1cc(Br)ccc1C
InChIInChI=1S/C12H16BrNO/c1-8-3-5-10(13)7-11(8)12(14)6-4-9(2)15/h3,5,7,12H,4,6,14H2,1-2H3
InChIKeyAKDRXWVNLOMYCT-UHFFFAOYSA-N
XLogP3.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116940603
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
ethyl 4-amino-4-(2,5-dibromophenyl)butanoate
CID 54927613
3-amino-3-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851410
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(5-bromo-2-methylphenyl)pentane-1,4-dione
CID 83556651
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one (CID 116940760) is 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one is CC(=O)CCC(N)c1cc(Br)ccc1C.
What is the InChIKey of 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one?
The InChIKey is AKDRXWVNLOMYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-3-5-10(13)7-11(8)12(14)6-4-9(2)15/h3,5,7,12H,4,6,14H2,1-2H3.
What are the key properties of 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one?
5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one has a molecular weight of 270.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one is sourced from PubChem (CID 116940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).