2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine

C17H19BrFN — CID 115839478

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1cc(C)ccc1C
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)15(8-11)17(20-3)10-13-9-14(18)6-7-16(13)19/h4-9,17,20H,10H2,1-3H3
InChIKeyZJSWOKBQYXCCBS-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.71
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 115839478) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID115839478
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1cc(C)ccc1C
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)15(8-11)17(20-3)10-13-9-14(18)6-7-16(13)19/h4-9,17,20H,10H2,1-3H3
InChIKeyZJSWOKBQYXCCBS-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
[2-(5-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105294922

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine (CID 115839478) is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)c1cc(C)ccc1C.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZJSWOKBQYXCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-4-5-12(2)15(8-11)17(20-3)10-13-9-14(18)6-7-16(13)19/h4-9,17,20H,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.71, 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-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115839478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).