[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine

C13H19FN2O — CID 61433103

IUPAC[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
SMILESCC1(C)COCCN1c1ccc(F)cc1CN
InChIInChI=1S/C13H19FN2O/c1-13(2)9-17-6-5-16(13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyJTHWTUATEYRTQW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds2

About [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine

[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine (PubChem CID 61433103) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
PubChem CID61433103
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
SMILESCC1(C)COCCN1c1ccc(F)cc1CN
InChIInChI=1S/C13H19FN2O/c1-13(2)9-17-6-5-16(13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyJTHWTUATEYRTQW-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(bromomethyl)-4-fluorophenyl]-3,3-dimethylmorpholine
CID 107081189
(1R)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 63371183
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 78940058
[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine
CID 62135733
1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
CID 61432978
4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine
CID 107081198
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 107520066
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 82015368
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
2-[(3,3-dimethylmorpholin-4-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63293104
2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
CID 63786701

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine (CID 61433103) is [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine is CC1(C)COCCN1c1ccc(F)cc1CN.
What is the InChIKey of [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The InChIKey is JTHWTUATEYRTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2)9-17-6-5-16(13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 61433103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).