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

C17H19F2N — CID 62538013

IUPAC1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(18)10-16(15)19/h4-8,10,17,20H,9H2,1-3H3
InChIKeyAGUHWADJBZCKJK-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.08
Rot. Bonds4

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

1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 62538013) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID62538013
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(18)10-16(15)19/h4-8,10,17,20H,9H2,1-3H3
InChIKeyAGUHWADJBZCKJK-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-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (CID 62538013) is 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is AGUHWADJBZCKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(18)10-16(15)19/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
1-(2,4-difluorophenyl)-2-(2,5-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 1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 62538013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).