1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine

C16H16BrClFNO — CID 106648061

IUPAC1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1cccc(Br)c1F
InChIInChI=1S/C16H16BrClFNO/c1-2-20-15(13-4-3-5-14(17)16(13)19)10-21-12-8-6-11(18)7-9-12/h3-9,15,20H,2,10H2,1H3
InChIKeyVMIWAUFNRJGUKV-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.97
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine

1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine (PubChem CID 106648061) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
PubChem CID106648061
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1cccc(Br)c1F
InChIInChI=1S/C16H16BrClFNO/c1-2-20-15(13-4-3-5-14(17)16(13)19)10-21-12-8-6-11(18)7-9-12/h3-9,15,20H,2,10H2,1H3
InChIKeyVMIWAUFNRJGUKV-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 106762446
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
CID 106647936
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine (CID 106648061) is 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine is CCNC(COc1ccc(Cl)cc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine?
The InChIKey is VMIWAUFNRJGUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-2-20-15(13-4-3-5-14(17)16(13)19)10-21-12-8-6-11(18)7-9-12/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine?
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine is sourced from PubChem (CID 106648061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).