4-amino-1-(3-bromophenyl)-5-methylhexan-2-one

C13H18BrNO — CID 116606363

IUPAC4-amino-1-(3-bromophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(2)13(15)8-12(16)7-10-4-3-5-11(14)6-10/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyBIUWQXNCFRQUBC-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.93
Rot. Bonds5

About 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one

4-amino-1-(3-bromophenyl)-5-methylhexan-2-one (PubChem CID 116606363) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-(3-bromophenyl)-5-methylhexan-2-one
PubChem CID116606363
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-amino-1-(3-bromophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(2)13(15)8-12(16)7-10-4-3-5-11(14)6-10/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyBIUWQXNCFRQUBC-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-chlorophenyl)-5-methylhexan-2-one
CID 116606295
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300
1-(3-bromophenyl)-3-propan-2-yloxypropan-2-one
CID 79566730
2-(3-bromophenyl)acetamide
CID 11736027
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CID 65192905
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
2-(3-bromophenyl)acetate
CID 3608673
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one?
The IUPAC name of 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one (CID 116606363) is 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one.
What is the SMILES notation for 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one?
The canonical SMILES for 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one is CC(C)C(N)CC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one?
The InChIKey is BIUWQXNCFRQUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(2)13(15)8-12(16)7-10-4-3-5-11(14)6-10/h3-6,9,13H,7-8,15H2,1-2H3.
What are the key properties of 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one?
4-amino-1-(3-bromophenyl)-5-methylhexan-2-one has a molecular weight of 284.20 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-bromophenyl)-5-methylhexan-2-one is sourced from PubChem (CID 116606363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).