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

C14H12BrClFNO — CID 63880236

IUPAC2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-2-1-9(5-6-18)14(7-10)19-11-3-4-13(17)12(16)8-11/h1-4,7-8H,5-6,18H2
InChIKeyJFPKQUOSDHTUOS-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.54
Rot. Bonds4

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

2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 63880236) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
PubChem CID63880236
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-2-1-9(5-6-18)14(7-10)19-11-3-4-13(17)12(16)8-11/h1-4,7-8H,5-6,18H2
InChIKeyJFPKQUOSDHTUOS-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

2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
CID 154573621
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
CID 107315464
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine (CID 63880236) is 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine is NCCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is JFPKQUOSDHTUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-2-1-9(5-6-18)14(7-10)19-11-3-4-13(17)12(16)8-11/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine?
2-[4-bromo-2-(3-chloro-4-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-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63880236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).