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

C15H14BrClFN — CID 55186986

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-3-2-4-13(17)7-11)8-10-5-6-12(16)9-14(10)18/h2-7,9,15,19H,8H2,1H3
InChIKeyJFUZLYKHBHNAKP-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

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

2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine (PubChem CID 55186986) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
PubChem CID55186986
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-3-2-4-13(17)7-11)8-10-5-6-12(16)9-14(10)18/h2-7,9,15,19H,8H2,1H3
InChIKeyJFUZLYKHBHNAKP-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine (CID 55186986) is 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is JFUZLYKHBHNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(11-3-2-4-13(17)7-11)8-10-5-6-12(16)9-14(10)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.74, 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-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 55186986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).