2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine

C17H18BrClFN — CID 115843296

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)8-13)9-12-6-7-14(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyZPFYKPNWUHGTGD-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.44
Rot. Bonds5

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

2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 115843296) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID115843296
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)8-13)9-12-6-7-14(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyZPFYKPNWUHGTGD-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (CID 115843296) is 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Br)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is ZPFYKPNWUHGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)8-13)9-12-6-7-14(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 370.69 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115843296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).