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

C14H12BrF2NO — CID 63802444

IUPAC2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-2-1-3-11(8-10)19-14-12(16)6-9(4-5-18)7-13(14)17/h1-3,6-8H,4-5,18H2
InChIKeySWMGUPLBALXHGQ-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.02
Rot. Bonds4

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

2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63802444) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63802444
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-2-1-3-11(8-10)19-14-12(16)6-9(4-5-18)7-13(14)17/h1-3,6-8H,4-5,18H2
InChIKeySWMGUPLBALXHGQ-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromophenoxy)-3,5-difluorophenyl]butan-2-amine
CID 63802603
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
CID 79881360
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine (CID 63802444) is 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(Oc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is SWMGUPLBALXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-2-1-3-11(8-10)19-14-12(16)6-9(4-5-18)7-13(14)17/h1-3,6-8H,4-5,18H2.
What are the key properties of 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63802444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).