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

C15H13BrF3NO — CID 79882262

IUPAC2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H13BrF3NO/c16-11-2-1-10(12(17)7-11)8-21-15-13(18)5-9(3-4-20)6-14(15)19/h1-2,5-7H,3-4,8,20H2
InChIKeyLERNDFNWLMGQLB-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.95
Rot. Bonds5

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

2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine (PubChem CID 79882262) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
PubChem CID79882262
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H13BrF3NO/c16-11-2-1-10(12(17)7-11)8-21-15-13(18)5-9(3-4-20)6-14(15)19/h1-2,5-7H,3-4,8,20H2
InChIKeyLERNDFNWLMGQLB-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79888610
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine (CID 79882262) is 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(OCc2ccc(Br)cc2F)c(F)c1.
What is the InChIKey of 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The InChIKey is LERNDFNWLMGQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-11-2-1-10(12(17)7-11)8-21-15-13(18)5-9(3-4-20)6-14(15)19/h1-2,5-7H,3-4,8,20H2.
What are the key properties of 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine has a molecular weight of 360.17 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 79882262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).