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

C15H13BrF3N — CID 63084053

IUPAC2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF3N/c1-20-15(11-4-3-10(17)8-14(11)19)7-9-2-5-13(18)12(16)6-9/h2-6,8,15,20H,7H2,1H3
InChIKeyWAWYWRYAESMTCB-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.37
Rot. Bonds4

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

2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine (PubChem CID 63084053) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
PubChem CID63084053
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF3N/c1-20-15(11-4-3-10(17)8-14(11)19)7-9-2-5-13(18)12(16)6-9/h2-6,8,15,20H,7H2,1H3
InChIKeyWAWYWRYAESMTCB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968016
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(3-bromo-4-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 115818809
2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115818655
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine (CID 63084053) is 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine?
The InChIKey is WAWYWRYAESMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-20-15(11-4-3-10(17)8-14(11)19)7-9-2-5-13(18)12(16)6-9/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63084053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).