1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine

C16H16BrF2NO — CID 82953582

IUPAC1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2NO/c1-3-20-10(2)13-8-11(17)4-7-15(13)21-16-9-12(18)5-6-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyIZHBPXMHDJLAAR-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.19
Rot. Bonds5

About 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine

1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 82953582) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
PubChem CID82953582
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2NO/c1-3-20-10(2)13-8-11(17)4-7-15(13)21-16-9-12(18)5-6-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyIZHBPXMHDJLAAR-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]benzonitrile
CID 82955859
N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 114673781
1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 114673824
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine (CID 82953582) is 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1Oc1cc(F)ccc1F.
What is the InChIKey of 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is IZHBPXMHDJLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-3-20-10(2)13-8-11(17)4-7-15(13)21-16-9-12(18)5-6-14(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 356.21 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82953582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).