2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine

C13H19FN2O — CID 117111920

IUPAC2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H19FN2O/c1-13(2,15)11-4-3-10(14)9-12(11)16-5-7-17-8-6-16/h3-4,9H,5-8,15H2,1-2H3
InChIKeyLWTGSDNMRJZMNT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine

2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine (PubChem CID 117111920) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
PubChem CID117111920
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H19FN2O/c1-13(2,15)11-4-3-10(14)9-12(11)16-5-7-17-8-6-16/h3-4,9H,5-8,15H2,1-2H3
InChIKeyLWTGSDNMRJZMNT-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine?
The IUPAC name of 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine (CID 117111920) is 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine is CC(C)(N)c1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine?
The InChIKey is LWTGSDNMRJZMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,15)11-4-3-10(14)9-12(11)16-5-7-17-8-6-16/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine?
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine has a molecular weight of 238.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine is sourced from PubChem (CID 117111920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).