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

C16H16BrClFN — CID 63412537

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyKOPDKASMYJCYBE-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

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

2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine (PubChem CID 63412537) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
PubChem CID63412537
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyKOPDKASMYJCYBE-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-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine (CID 63412537) is 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine?
The InChIKey is KOPDKASMYJCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-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-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63412537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).