2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine

C13H19FN2O — CID 43541859

IUPAC2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
SMILESCC1COCCN1C(CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10-9-17-7-6-16(10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyDOBVBZIGVPPSFQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine

2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine (PubChem CID 43541859) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
PubChem CID43541859
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
SMILESCC1COCCN1C(CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10-9-17-7-6-16(10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyDOBVBZIGVPPSFQ-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine (CID 43541859) is 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine is CC1COCCN1C(CN)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine?
The InChIKey is DOBVBZIGVPPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-9-17-7-6-16(10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine?
2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43541859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).