2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine

C17H19F2NO — CID 63268910

IUPAC2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1cc(F)ccc1F)c1ccccc1C
InChIInChI=1S/C17H19F2NO/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyIWDPYOUMQLWBQS-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 63268910) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID63268910
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1cc(F)ccc1F)c1ccccc1C
InChIInChI=1S/C17H19F2NO/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyIWDPYOUMQLWBQS-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64855007
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63474881
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 63268910) is 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(COc1cc(F)ccc1F)c1ccccc1C.
What is the InChIKey of 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is IWDPYOUMQLWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63268910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).