2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine

C16H16BrClFN — CID 63414075

IUPAC2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-15(12)17/h3-8,10,16,20H,2,9H2,1H3
InChIKeyNFVOJDHYGDSGHO-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine

2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine (PubChem CID 63414075) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
PubChem CID63414075
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-15(12)17/h3-8,10,16,20H,2,9H2,1H3
InChIKeyNFVOJDHYGDSGHO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine (CID 63414075) is 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine?
The InChIKey is NFVOJDHYGDSGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-16(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-15(12)17/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.13, 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-(4-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63414075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).