2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine

C15H13F4N — CID 64561397

IUPAC2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F4N/c1-20-14(15-11(17)3-2-4-12(15)18)7-9-5-6-10(16)8-13(9)19/h2-6,8,14,20H,7H2,1H3
InChIKeyHTXKRWMWYWPNNU-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.75
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine (PubChem CID 64561397) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
PubChem CID64561397
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F4N/c1-20-14(15-11(17)3-2-4-12(15)18)7-9-5-6-10(16)8-13(9)19/h2-6,8,14,20H,7H2,1H3
InChIKeyHTXKRWMWYWPNNU-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105117377
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine (CID 64561397) is 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The InChIKey is HTXKRWMWYWPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-20-14(15-11(17)3-2-4-12(15)18)7-9-5-6-10(16)8-13(9)19/h2-6,8,14,20H,7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine has a molecular weight of 283.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64561397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).