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

C13H19FN2O — CID 43544860

IUPAC[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
SMILESCC1CN(c2ccc(F)cc2CN)C(C)CO1
InChIInChI=1S/C13H19FN2O/c1-9-8-17-10(2)7-16(9)13-4-3-12(14)5-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyNYWXLDICLXRORH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds2

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

[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine (PubChem CID 43544860) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
PubChem CID43544860
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
SMILESCC1CN(c2ccc(F)cc2CN)C(C)CO1
InChIInChI=1S/C13H19FN2O/c1-9-8-17-10(2)7-16(9)13-4-3-12(14)5-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyNYWXLDICLXRORH-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

2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004241
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
[4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine
CID 81246251
[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 55062001
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
CID 43578065
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 43544700
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81193938
4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde
CID 43544756
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine (CID 43544860) is [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine is CC1CN(c2ccc(F)cc2CN)C(C)CO1.
What is the InChIKey of [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
The InChIKey is NYWXLDICLXRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-8-17-10(2)7-16(9)13-4-3-12(14)5-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of [2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine?
[2-(2,5-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-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43544860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).