2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

C15H23FN2O2 — CID 107522093

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2C[C@@H](C)O[C@@H](C)C2)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10-7-18(8-11(2)20-10)9-14(17)12-4-5-15(19-3)13(16)6-12/h4-6,10-11,14H,7-9,17H2,1-3H3/t10-,11+,14?
InChIKeyXWQRACHZVMDGTE-BVUQATHDSA-N
MW282.36 g/mol
LogP1.94
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 107522093) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID107522093
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2C[C@@H](C)O[C@@H](C)C2)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10-7-18(8-11(2)20-10)9-14(17)12-4-5-15(19-3)13(16)6-12/h4-6,10-11,14H,7-9,17H2,1-3H3/t10-,11+,14?
InChIKeyXWQRACHZVMDGTE-BVUQATHDSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107519671
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107521195
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522052
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 16786128
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 107522093) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)CN2C[C@@H](C)O[C@@H](C)C2)cc1F.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is XWQRACHZVMDGTE-BVUQATHDSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10-7-18(8-11(2)20-10)9-14(17)12-4-5-15(19-3)13(16)6-12/h4-6,10-11,14H,7-9,17H2,1-3H3/t10-,11+,14?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 282.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107522093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).