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

C15H14BrF2NO — CID 107286734

IUPAC2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1ccc(Br)cc1Oc1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-9-2-3-11(16)8-14(9)20-15-12(17)6-10(4-5-19)7-13(15)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyXJPKWTRDSJXBPC-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.33
Rot. Bonds4

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

2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 107286734) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID107286734
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1ccc(Br)cc1Oc1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-9-2-3-11(16)8-14(9)20-15-12(17)6-10(4-5-19)7-13(15)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyXJPKWTRDSJXBPC-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

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Related Compounds

2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine (CID 107286734) is 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine is Cc1ccc(Br)cc1Oc1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is XJPKWTRDSJXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-2-3-11(16)8-14(9)20-15-12(17)6-10(4-5-19)7-13(15)18/h2-3,6-8H,4-5,19H2,1H3.
What are the key properties of 2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(5-bromo-2-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-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 107286734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).