2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine

C14H12BrClFNO — CID 114863369

IUPAC2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2
InChIKeyHSMGPYLSKPGGIB-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.54
Rot. Bonds4

About 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine

2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine (PubChem CID 114863369) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
PubChem CID114863369
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2
InChIKeyHSMGPYLSKPGGIB-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-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
1-[4-chloro-2-(chloromethyl)phenoxy]-3,5-difluorobenzene
CID 114847104
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
N-[[2-(3-bromo-5-fluorophenoxy)-4-chlorophenyl]methyl]propan-2-amine
CID 114857583
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine (CID 114863369) is 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine is NCCc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine?
The InChIKey is HSMGPYLSKPGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine?
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]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-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine is sourced from PubChem (CID 114863369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).