1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine

C15H23FN2O — CID 63785668

IUPAC1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
SMILESCCC1COCCN1c1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O/c1-3-14-10-19-7-6-18(14)15-5-4-13(16)9-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyJELSUQVNJNCUJH-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine

1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine (PubChem CID 63785668) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
PubChem CID63785668
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
SMILESCCC1COCCN1c1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O/c1-3-14-10-19-7-6-18(14)15-5-4-13(16)9-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyJELSUQVNJNCUJH-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine (CID 63785668) is 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine is CCC1COCCN1c1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine?
The InChIKey is JELSUQVNJNCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-14-10-19-7-6-18(14)15-5-4-13(16)9-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3.
What are the key properties of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine?
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine has a molecular weight of 266.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63785668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).