N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

C18H21F2N — CID 105377456

IUPACN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cccc(C)c1F
InChIInChI=1S/C18H21F2N/c1-4-21-17(16-7-5-6-13(3)18(16)20)11-14-10-15(19)9-8-12(14)2/h5-10,17,21H,4,11H2,1-3H3
InChIKeyIEBIMAXOVKGMPH-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377456) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377456
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cccc(C)c1F
InChIInChI=1S/C18H21F2N/c1-4-21-17(16-7-5-6-13(3)18(16)20)11-14-10-15(19)9-8-12(14)2/h5-10,17,21H,4,11H2,1-3H3
InChIKeyIEBIMAXOVKGMPH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377456) is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is IEBIMAXOVKGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-17(16-7-5-6-13(3)18(16)20)11-14-10-15(19)9-8-12(14)2/h5-10,17,21H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).