2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine

C15H12BrF4N — CID 115839656

IUPAC2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12BrF4N/c1-21-13(7-8-6-9(16)2-4-11(8)17)10-3-5-12(18)15(20)14(10)19/h2-6,13,21H,7H2,1H3
InChIKeyOJUCMMGUXHWGLY-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.51
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 115839656) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID115839656
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12BrF4N/c1-21-13(7-8-6-9(16)2-4-11(8)17)10-3-5-12(18)15(20)14(10)19/h2-6,13,21H,7H2,1H3
InChIKeyOJUCMMGUXHWGLY-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine (CID 115839656) is 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine is CNC(Cc1cc(Br)ccc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is OJUCMMGUXHWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-21-13(7-8-6-9(16)2-4-11(8)17)10-3-5-12(18)15(20)14(10)19/h2-6,13,21H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 362.16 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 115839656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).