2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine

C15H13BrCl2FN — CID 115844724

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(10-4-12(17)8-13(18)5-10)6-9-2-3-11(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXRTOEOQDYXBLTO-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.40
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine

2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine (PubChem CID 115844724) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
PubChem CID115844724
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(10-4-12(17)8-13(18)5-10)6-9-2-3-11(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXRTOEOQDYXBLTO-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.40
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
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine (CID 115844724) is 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is XRTOEOQDYXBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-20-15(10-4-12(17)8-13(18)5-10)6-9-2-3-11(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 377.08 g/mol, XLogP of 5.40, 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-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115844724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).