1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine

C16H17Br2NO — CID 115995706

IUPAC1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3
InChIKeyLFCSVFQKFKUUEL-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.67
Rot. Bonds5

About 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine

1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 115995706) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
PubChem CID115995706
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2NO/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3
InChIKeyLFCSVFQKFKUUEL-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine 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

1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
1-[2-(4-bromo-3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 107724832
1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
CID 115995677
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine (CID 115995706) is 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is LFCSVFQKFKUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3.
What are the key properties of 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine?
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 399.13 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115995706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).