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

C12H16BrNO2 — CID 116940685

IUPAC5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(Br)cc1C(N)CCC(C)=O
InChIInChI=1S/C12H16BrNO2/c1-8(15)3-5-11(14)10-7-9(13)4-6-12(10)16-2/h4,6-7,11H,3,5,14H2,1-2H3
InChIKeyJYACMCPJLKGQCG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.83
Rot. Bonds5

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

5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one (PubChem CID 116940685) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
PubChem CID116940685
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(Br)cc1C(N)CCC(C)=O
InChIInChI=1S/C12H16BrNO2/c1-8(15)3-5-11(14)10-7-9(13)4-6-12(10)16-2/h4,6-7,11H,3,5,14H2,1-2H3
InChIKeyJYACMCPJLKGQCG-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
CID 116940760
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(1S)-1-(5-bromo-2-methoxyphenyl)pentane-1,5-diamine
CID 171221124
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
4-(5-bromo-2-methoxyphenyl)-4-chlorobutanoic acid
CID 103440278
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one (CID 116940685) is 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one is COc1ccc(Br)cc1C(N)CCC(C)=O.
What is the InChIKey of 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one?
The InChIKey is JYACMCPJLKGQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(15)3-5-11(14)10-7-9(13)4-6-12(10)16-2/h4,6-7,11H,3,5,14H2,1-2H3.
What are the key properties of 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one?
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one has a molecular weight of 286.17 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 116940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).