2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

C16H15BrF3N — CID 115839081

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-9-5-12(15(20)8-14(9)19)16(21-2)7-10-6-11(17)3-4-13(10)18/h3-6,8,16,21H,7H2,1-2H3
InChIKeyBCXGYYZEAWBYEA-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.68
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 115839081) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
PubChem CID115839081
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-9-5-12(15(20)8-14(9)19)16(21-2)7-10-6-11(17)3-4-13(10)18/h3-6,8,16,21H,7H2,1-2H3
InChIKeyBCXGYYZEAWBYEA-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (CID 115839081) is 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is BCXGYYZEAWBYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-9-5-12(15(20)8-14(9)19)16(21-2)7-10-6-11(17)3-4-13(10)18/h3-6,8,16,21H,7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 358.20 g/mol, XLogP of 4.68, 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)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115839081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).