N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide

C15H22FN3O2 — CID 83103963

IUPACN-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(F)cc1CNC
InChIInChI=1S/C15H22FN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-12(16)8-11(13)9-17-2/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyBYFWTGJMIHYZHY-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.89
Rot. Bonds5

About N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide

N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83103963) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83103963
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(F)cc1CNC
InChIInChI=1S/C15H22FN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-12(16)8-11(13)9-17-2/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyBYFWTGJMIHYZHY-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N-ethylmorpholine-3-carboxamide
CID 83103965
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83103963) is N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ccc(F)cc1CNC.
What is the InChIKey of N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is BYFWTGJMIHYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-12(16)8-11(13)9-17-2/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83103963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).