2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine

C18H21F2N — CID 115809563

IUPAC2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1cccc(C)c1C
InChIInChI=1S/C18H21F2N/c1-4-21-18(16-7-5-6-12(2)13(16)3)11-14-10-15(19)8-9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyBYCFANSNUREPBG-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine

2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine (PubChem CID 115809563) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
PubChem CID115809563
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1cccc(C)c1C
InChIInChI=1S/C18H21F2N/c1-4-21-18(16-7-5-6-12(2)13(16)3)11-14-10-15(19)8-9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyBYCFANSNUREPBG-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

2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 63554372
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine (CID 115809563) is 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)c1cccc(C)c1C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine?
The InChIKey is BYCFANSNUREPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-18(16-7-5-6-12(2)13(16)3)11-14-10-15(19)8-9-17(14)20/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine?
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine 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 2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).