4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide

C13H18FN3O2 — CID 83102016

IUPAC4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
SMILESNCC(c1cccc(F)c1)N1CCOCC1C(N)=O
InChIInChI=1S/C13H18FN3O2/c14-10-3-1-2-9(6-10)11(7-15)17-4-5-19-8-12(17)13(16)18/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18)
InChIKeySVAGZFKTVYKRNF-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.01
Rot. Bonds4

About 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide

4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide (PubChem CID 83102016) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
PubChem CID83102016
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
SMILESNCC(c1cccc(F)c1)N1CCOCC1C(N)=O
InChIInChI=1S/C13H18FN3O2/c14-10-3-1-2-9(6-10)11(7-15)17-4-5-19-8-12(17)13(16)18/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18)
InChIKeySVAGZFKTVYKRNF-UHFFFAOYSA-N
XLogP0.01
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide (CID 83102016) is 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide is NCC(c1cccc(F)c1)N1CCOCC1C(N)=O.
What is the InChIKey of 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is SVAGZFKTVYKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-10-3-1-2-9(6-10)11(7-15)17-4-5-19-8-12(17)13(16)18/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18).
What are the key properties of 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide?
4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83102016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).