1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine

C18H22FNO — CID 43285318

IUPAC1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C18H22FNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyATZNMMLKOWXALF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.91
Rot. Bonds5

About 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine

1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine (PubChem CID 43285318) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
PubChem CID43285318
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C18H22FNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyATZNMMLKOWXALF-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine (CID 43285318) is 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine is CCNC(C)c1cc(F)ccc1Oc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine?
The InChIKey is ATZNMMLKOWXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine?
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43285318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).