2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine

C14H12BrClFNO — CID 116690763

IUPAC2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H12BrClFNO/c15-10-5-4-9(6-7-18)13(8-10)19-12-3-1-2-11(16)14(12)17/h1-5,8H,6-7,18H2
InChIKeyKLPCCFFXDZLGPZ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.54
Rot. Bonds4

About 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine

2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine (PubChem CID 116690763) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
PubChem CID116690763
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H12BrClFNO/c15-10-5-4-9(6-7-18)13(8-10)19-12-3-1-2-11(16)14(12)17/h1-5,8H,6-7,18H2
InChIKeyKLPCCFFXDZLGPZ-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine (CID 116690763) is 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine is NCCc1ccc(Br)cc1Oc1cccc(Cl)c1F.
What is the InChIKey of 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine?
The InChIKey is KLPCCFFXDZLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-5-4-9(6-7-18)13(8-10)19-12-3-1-2-11(16)14(12)17/h1-5,8H,6-7,18H2.
What are the key properties of 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine?
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine has a molecular weight of 344.61 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 116690763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).