1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

C16H16BrClFN — CID 107995550

IUPAC1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClFN/c1-10-7-13(19)5-3-11(10)8-16(20-2)14-6-4-12(18)9-15(14)17/h3-7,9,16,20H,8H2,1-2H3
InChIKeyPHQRQFZWHNHUCO-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.05
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 107995550) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID107995550
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClFN/c1-10-7-13(19)5-3-11(10)8-16(20-2)14-6-4-12(18)9-15(14)17/h3-7,9,16,20H,8H2,1-2H3
InChIKeyPHQRQFZWHNHUCO-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
[1-(2-bromo-4-chlorophenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107996803
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 107995550) is 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is PHQRQFZWHNHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-10-7-13(19)5-3-11(10)8-16(20-2)14-6-4-12(18)9-15(14)17/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 107995550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).