2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine

C15H14BrF2NO — CID 63801942

IUPAC2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1ccc(Oc2c(F)cc(CCN)cc2F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-2-3-14(11(16)6-9)20-15-12(17)7-10(4-5-19)8-13(15)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyVGAFKCAFJJSXID-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.33
Rot. Bonds4

About 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine

2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63801942) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63801942
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1ccc(Oc2c(F)cc(CCN)cc2F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-2-3-14(11(16)6-9)20-15-12(17)7-10(4-5-19)8-13(15)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyVGAFKCAFJJSXID-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]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-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
4-(2-bromo-4-methylphenoxy)-3,5-difluorobenzoic acid
CID 63461641
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine (CID 63801942) is 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine is Cc1ccc(Oc2c(F)cc(CCN)cc2F)c(Br)c1.
What is the InChIKey of 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is VGAFKCAFJJSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-2-3-14(11(16)6-9)20-15-12(17)7-10(4-5-19)8-13(15)18/h2-3,6-8H,4-5,19H2,1H3.
What are the key properties of 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63801942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).