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

C17H19F2NO — CID 62196391

IUPAC2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccccc1OC
InChIInChI=1S/C17H19F2NO/c1-3-20-16(14-6-4-5-7-17(14)21-2)10-12-8-9-13(18)11-15(12)19/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyYJLIPCNSSJGLAH-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds6

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

2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine (PubChem CID 62196391) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
PubChem CID62196391
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccccc1OC
InChIInChI=1S/C17H19F2NO/c1-3-20-16(14-6-4-5-7-17(14)21-2)10-12-8-9-13(18)11-15(12)19/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyYJLIPCNSSJGLAH-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine (CID 62196391) is 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccc(F)cc1F)c1ccccc1OC.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The InChIKey is YJLIPCNSSJGLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-16(14-6-4-5-7-17(14)21-2)10-12-8-9-13(18)11-15(12)19/h4-9,11,16,20H,3,10H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine?
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 62196391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).