2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine

C15H13Br2ClFN — CID 114886897

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-20-14(15-11(17)3-2-4-13(15)19)7-9-5-6-10(16)8-12(9)18/h2-6,8,14,20H,7H2,1H3
InChIKeyMZQQLCDHNLJDGC-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.51
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine (PubChem CID 114886897) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
PubChem CID114886897
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-20-14(15-11(17)3-2-4-13(15)19)7-9-5-6-10(16)8-12(9)18/h2-6,8,14,20H,7H2,1H3
InChIKeyMZQQLCDHNLJDGC-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-6-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868426
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 113471238
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine (CID 114886897) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1c(F)cccc1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine?
The InChIKey is MZQQLCDHNLJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-20-14(15-11(17)3-2-4-13(15)19)7-9-5-6-10(16)8-12(9)18/h2-6,8,14,20H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine has a molecular weight of 421.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).