2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C15H23FN2O2 — CID 65096523

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-15(2)10-20-7-6-18(15)13(9-17)11-4-5-14(19-3)12(16)8-11/h4-5,8,13H,6-7,9-10,17H2,1-3H3
InChIKeyJDVKHVUBRHDWMS-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.94
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 65096523) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID65096523
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-15(2)10-20-7-6-18(15)13(9-17)11-4-5-14(19-3)12(16)8-11/h4-5,8,13H,6-7,9-10,17H2,1-3H3
InChIKeyJDVKHVUBRHDWMS-UHFFFAOYSA-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-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132253
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 61430214
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61429560
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 65096523) is 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCOCC2(C)C)cc1F.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is JDVKHVUBRHDWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2)10-20-7-6-18(15)13(9-17)11-4-5-14(19-3)12(16)8-11/h4-5,8,13H,6-7,9-10,17H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-(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-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).