2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine

C17H19F2N — CID 115809738

IUPAC2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19F2N/c1-11-4-5-13(8-12(11)2)17(20-3)10-14-9-15(18)6-7-16(14)19/h4-9,17,20H,10H2,1-3H3
InChIKeyXWRNCPCXTQHNRZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine

2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 115809738) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID115809738
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19F2N/c1-11-4-5-13(8-12(11)2)17(20-3)10-14-9-15(18)6-7-16(14)19/h4-9,17,20H,10H2,1-3H3
InChIKeyXWRNCPCXTQHNRZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine (CID 115809738) is 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is XWRNCPCXTQHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-4-5-13(8-12(11)2)17(20-3)10-14-9-15(18)6-7-16(14)19/h4-9,17,20H,10H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115809738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).