2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine

C14H12BrClFNO — CID 116688749

IUPAC2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
SMILESNCC(Oc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-4-9(5-7-10)13(8-18)19-12-3-1-2-11(16)14(12)17/h1-7,13H,8,18H2
InChIKeyOODJADBBHBVFBQ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.32
Rot. Bonds4

About 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine

2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine (PubChem CID 116688749) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
PubChem CID116688749
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
SMILESNCC(Oc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-4-9(5-7-10)13(8-18)19-12-3-1-2-11(16)14(12)17/h1-7,13H,8,18H2
InChIKeyOODJADBBHBVFBQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
CID 114671834
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662
2-(4-bromothiophen-2-yl)-2-(2,3-difluorophenoxy)ethanamine
CID 63037613

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine (CID 116688749) is 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine is NCC(Oc1cccc(Cl)c1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine?
The InChIKey is OODJADBBHBVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-6-4-9(5-7-10)13(8-18)19-12-3-1-2-11(16)14(12)17/h1-7,13H,8,18H2.
What are the key properties of 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine?
2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine has a molecular weight of 344.61 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine is sourced from PubChem (CID 116688749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).