1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine

C13H19FN2O — CID 43313713

IUPAC1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CCOC(C)C1
InChIInChI=1S/C13H19FN2O/c1-10-9-16(5-6-17-10)13-4-3-12(14)7-11(13)8-15-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyZVOJZQBMJLSNNU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds3

About 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine (PubChem CID 43313713) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
PubChem CID43313713
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CCOC(C)C1
InChIInChI=1S/C13H19FN2O/c1-10-9-16(5-6-17-10)13-4-3-12(14)7-11(13)8-15-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyZVOJZQBMJLSNNU-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine (CID 43313713) is 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1N1CCOC(C)C1.
What is the InChIKey of 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is ZVOJZQBMJLSNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-9-16(5-6-17-10)13-4-3-12(14)7-11(13)8-15-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43313713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).