2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine

C14H12BrClFNO — CID 114862686

IUPAC2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c15-10-1-3-14(12(17)8-10)19-13-4-2-11(16)7-9(13)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeySJCVEMOGJYTDLM-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.54
Rot. Bonds4

About 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine

2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine (PubChem CID 114862686) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
PubChem CID114862686
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c15-10-1-3-14(12(17)8-10)19-13-4-2-11(16)7-9(13)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeySJCVEMOGJYTDLM-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]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-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine (CID 114862686) is 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine is NCCc1cc(Cl)ccc1Oc1ccc(Br)cc1F.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine?
The InChIKey is SJCVEMOGJYTDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-1-3-14(12(17)8-10)19-13-4-2-11(16)7-9(13)5-6-18/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine?
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine has a molecular weight of 344.61 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine is sourced from PubChem (CID 114862686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).