2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine

C14H12Br2ClNO — CID 63803304

IUPAC2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12Br2ClNO/c15-10-3-4-13(12(17)7-10)19-14-8-11(16)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeyWBSZHBSVFYZWRQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.16
Rot. Bonds4

About 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine

2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine (PubChem CID 63803304) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
PubChem CID63803304
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12Br2ClNO/c15-10-3-4-13(12(17)7-10)19-14-8-11(16)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeyWBSZHBSVFYZWRQ-UHFFFAOYSA-N
XLogP5.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine 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-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine (CID 63803304) is 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine is NCCc1ccc(Br)cc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine?
The InChIKey is WBSZHBSVFYZWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c15-10-3-4-13(12(17)7-10)19-14-8-11(16)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine?
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine has a molecular weight of 405.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63803304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).