1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine

C16H16BrClFNO — CID 114673824

IUPAC1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C16H16BrClFNO/c1-3-20-10(2)11-4-7-15(13(18)8-11)21-16-9-12(17)5-6-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyHFIZMVNNCGZSQJ-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.70
Rot. Bonds5

About 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine

1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine (PubChem CID 114673824) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
PubChem CID114673824
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C16H16BrClFNO/c1-3-20-10(2)11-4-7-15(13(18)8-11)21-16-9-12(17)5-6-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyHFIZMVNNCGZSQJ-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine (CID 114673824) is 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1.
What is the InChIKey of 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine?
The InChIKey is HFIZMVNNCGZSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-20-10(2)11-4-7-15(13(18)8-11)21-16-9-12(17)5-6-14(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine?
1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine has a molecular weight of 372.67 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine is sourced from PubChem (CID 114673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).