1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine

C16H15BrClF2N — CID 105032691

IUPAC1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Br
InChIInChI=1S/C16H15BrClF2N/c1-2-21-14(11-6-4-7-12(19)15(11)17)9-10-5-3-8-13(20)16(10)18/h3-8,14,21H,2,9H2,1H3
InChIKeyYNQMKGLXDWISIQ-UHFFFAOYSA-N
MW374.66 g/mol
LogP5.27
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine

1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 105032691) has the molecular formula C16H15BrClF2N and a molecular weight of 374.66 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID105032691
Molecular FormulaC16H15BrClF2N
Molecular Weight374.66 g/mol
Exact Mass373.00
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Br
InChIInChI=1S/C16H15BrClF2N/c1-2-21-14(11-6-4-7-12(19)15(11)17)9-10-5-3-8-13(20)16(10)18/h3-8,14,21H,2,9H2,1H3
InChIKeyYNQMKGLXDWISIQ-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine (CID 105032691) is 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is YNQMKGLXDWISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF2N/c1-2-21-14(11-6-4-7-12(19)15(11)17)9-10-5-3-8-13(20)16(10)18/h3-8,14,21H,2,9H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine?
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine has a molecular weight of 374.66 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105032691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).