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

C16H16BrClFN — CID 79747608

IUPAC1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(18)8-11)12-6-7-15(19)14(17)10-12/h3-8,10,16,20H,2,9H2,1H3
InChIKeyMUSXJOYSXLAUDK-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

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

1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (PubChem CID 79747608) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
PubChem CID79747608
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(18)8-11)12-6-7-15(19)14(17)10-12/h3-8,10,16,20H,2,9H2,1H3
InChIKeyMUSXJOYSXLAUDK-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-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 79747525
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (CID 79747608) is 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The InChIKey is MUSXJOYSXLAUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-16(9-11-4-3-5-13(18)8-11)12-6-7-15(19)14(17)10-12/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
1-(3-bromo-4-fluorophenyl)-2-(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 1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 79747608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).