1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C17H18F3N — CID 114347679

IUPAC1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-3-21-17(13-5-7-15(19)16(20)9-13)10-12-4-6-14(18)8-11(12)2/h4-9,17,21H,3,10H2,1-2H3
InChIKeyCPAMMFGBWGDLQS-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.31
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114347679) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114347679
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-3-21-17(13-5-7-15(19)16(20)9-13)10-12-4-6-14(18)8-11(12)2/h4-9,17,21H,3,10H2,1-2H3
InChIKeyCPAMMFGBWGDLQS-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

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114347679) is 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is CPAMMFGBWGDLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-17(13-5-7-15(19)16(20)9-13)10-12-4-6-14(18)8-11(12)2/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(3,4-difluorophenyl)-N-ethyl-2-(4-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 1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114347679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).