2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine

C17H18F3N — CID 62388925

IUPAC2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1cc(F)ccc1C
InChIInChI=1S/C17H18F3N/c1-3-21-17(15-9-13(18)6-4-11(15)2)8-12-5-7-14(19)10-16(12)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyYKCUBVVRCPIDSQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine

2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 62388925) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID62388925
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1cc(F)ccc1C
InChIInChI=1S/C17H18F3N/c1-3-21-17(15-9-13(18)6-4-11(15)2)8-12-5-7-14(19)10-16(12)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyYKCUBVVRCPIDSQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
[1-(5-chloro-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291913
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine (CID 62388925) is 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1F)c1cc(F)ccc1C.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is YKCUBVVRCPIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-17(15-9-13(18)6-4-11(15)2)8-12-5-7-14(19)10-16(12)20/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine?
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.31, 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-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62388925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).