2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one

C17H17Br2NO2 — CID 46307428

IUPAC2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C17H17Br2NO2/c1-2-5-16(22-15-7-4-3-6-14(15)20)17(21)12-9-8-11(18)10-13(12)19/h3-4,6-10,16H,2,5,20H2,1H3
InChIKeyQECWRBSEKTYIDP-UHFFFAOYSA-N
MW427.14 g/mol
LogP5.22
Rot. Bonds6

About 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one

2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one (PubChem CID 46307428) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
PubChem CID46307428
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C17H17Br2NO2/c1-2-5-16(22-15-7-4-3-6-14(15)20)17(21)12-9-8-11(18)10-13(12)19/h3-4,6-10,16H,2,5,20H2,1H3
InChIKeyQECWRBSEKTYIDP-UHFFFAOYSA-N
XLogP5.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
CID 46307352
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359
2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
CID 46307345
ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
CID 46307736
2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
CID 46307367
2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
ethyl 2-(4-bromo-2-formylphenoxy)pentanoate
CID 83041354

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one (CID 46307428) is 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one is CCCC(Oc1ccccc1N)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one?
The InChIKey is QECWRBSEKTYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-2-5-16(22-15-7-4-3-6-14(15)20)17(21)12-9-8-11(18)10-13(12)19/h3-4,6-10,16H,2,5,20H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one?
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one has a molecular weight of 427.14 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one is sourced from PubChem (CID 46307428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).