1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine

C16H16BrClFNO — CID 116689275

IUPAC1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFNO/c1-3-20-10(2)12-8-7-11(17)9-15(12)21-14-6-4-5-13(18)16(14)19/h4-10,20H,3H2,1-2H3
InChIKeyLIKKTZCJENGQTE-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.70
Rot. Bonds5

About 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 116689275) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
PubChem CID116689275
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFNO/c1-3-20-10(2)12-8-7-11(17)9-15(12)21-14-6-4-5-13(18)16(14)19/h4-10,20H,3H2,1-2H3
InChIKeyLIKKTZCJENGQTE-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

Analyze 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
1-[4-bromo-2-(3,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 82956082
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylpropan-1-amine
CID 116689296
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 114673824

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine (CID 116689275) is 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is LIKKTZCJENGQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-20-10(2)12-8-7-11(17)9-15(12)21-14-6-4-5-13(18)16(14)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-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-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 116689275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).