2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine

C17H19F2N — CID 62196079

IUPAC2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C17H19F2N/c1-3-20-17(13-6-4-12(2)5-7-13)10-14-8-9-15(18)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHPCLAKWLHGXERM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.17
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine

2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine (PubChem CID 62196079) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
PubChem CID62196079
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C17H19F2N/c1-3-20-17(13-6-4-12(2)5-7-13)10-14-8-9-15(18)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHPCLAKWLHGXERM-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine (CID 62196079) is 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1F)c1ccc(C)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The InChIKey is HPCLAKWLHGXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-20-17(13-6-4-12(2)5-7-13)10-14-8-9-15(18)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62196079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).