1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C18H22FNO — CID 104791622

IUPAC1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cccc(OC)c2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-14-8-10-15(11-9-14)13(2)20-12-16-6-5-7-17(21-3)18(16)19/h5-11,13,20H,4,12H2,1-3H3
InChIKeyYKMXFBXHBJNWLZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.25
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 104791622) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID104791622
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cccc(OC)c2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-14-8-10-15(11-9-14)13(2)20-12-16-6-5-7-17(21-3)18(16)19/h5-11,13,20H,4,12H2,1-3H3
InChIKeyYKMXFBXHBJNWLZ-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104792050
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 104791622) is 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCc1ccc(C(C)NCc2cccc(OC)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is YKMXFBXHBJNWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-14-8-10-15(11-9-14)13(2)20-12-16-6-5-7-17(21-3)18(16)19/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104791622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).