[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine

C13H19FN2O — CID 43122235

IUPAC[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
SMILESCC1CN(c2ccc(CN)cc2F)CC(C)O1
InChIInChI=1S/C13H19FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyRQXUTJPPGWZYLD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds2

About [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine

[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine (PubChem CID 43122235) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
PubChem CID43122235
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
SMILESCC1CN(c2ccc(CN)cc2F)CC(C)O1
InChIInChI=1S/C13H19FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyRQXUTJPPGWZYLD-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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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine (CID 43122235) is [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine is CC1CN(c2ccc(CN)cc2F)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine?
The InChIKey is RQXUTJPPGWZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine?
[4-(2,6-dimethylmorpholin-4-yl)-3-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 [4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 43122235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).