2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine

C15H13BrClF2NO — CID 106269272

IUPAC2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrClF2NO/c16-11-4-5-13(18)10(15(11)19)8-21-14-3-1-2-12(17)9(14)6-7-20/h1-5H,6-8,20H2
InChIKeyGAFKEPCOUYRWQX-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.46
Rot. Bonds5

About 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine

2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine (PubChem CID 106269272) has the molecular formula C15H13BrClF2NO and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
PubChem CID106269272
Molecular FormulaC15H13BrClF2NO
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC Name2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrClF2NO/c16-11-4-5-13(18)10(15(11)19)8-21-14-3-1-2-12(17)9(14)6-7-20/h1-5H,6-8,20H2
InChIKeyGAFKEPCOUYRWQX-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-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-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 114321413
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine (CID 106269272) is 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine is NCCc1c(Cl)cccc1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The InChIKey is GAFKEPCOUYRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO/c16-11-4-5-13(18)10(15(11)19)8-21-14-3-1-2-12(17)9(14)6-7-20/h1-5H,6-8,20H2.
What are the key properties of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine has a molecular weight of 376.63 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine is sourced from PubChem (CID 106269272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).