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

C15H13Br2NO2 — CID 46307736

IUPAC2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
SMILESCC(Oc1ccc(N)cc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9(20-12-5-3-11(18)4-6-12)15(19)13-7-2-10(16)8-14(13)17/h2-9H,18H2,1H3
InChIKeyBKDSWODQNVUMTO-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.44
Rot. Bonds4

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

2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one (PubChem CID 46307736) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
PubChem CID46307736
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
SMILESCC(Oc1ccc(N)cc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9(20-12-5-3-11(18)4-6-12)15(19)13-7-2-10(16)8-14(13)17/h2-9H,18H2,1H3
InChIKeyBKDSWODQNVUMTO-UHFFFAOYSA-N
XLogP4.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 46307670
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
2-(4-bromo-3-methylphenoxy)-1-(2,4-difluorophenyl)propan-1-one
CID 83136274

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one?
The IUPAC name of 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one (CID 46307736) is 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one?
The canonical SMILES for 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one is CC(Oc1ccc(N)cc1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one?
The InChIKey is BKDSWODQNVUMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(20-12-5-3-11(18)4-6-12)15(19)13-7-2-10(16)8-14(13)17/h2-9H,18H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one?
2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one has a molecular weight of 399.08 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one is sourced from PubChem (CID 46307736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).