4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide

C15H20FN3O2 — CID 102814248

IUPAC4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H20FN3O2/c16-11-5-10(8-17)6-13(7-11)19-3-4-21-9-14(19)15(20)18-12-1-2-12/h5-7,12,14H,1-4,8-9,17H2,(H,18,20)
InChIKeyXRUGLQDXANEJEJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.77
Rot. Bonds4

About 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide

4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 102814248) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID102814248
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H20FN3O2/c16-11-5-10(8-17)6-13(7-11)19-3-4-21-9-14(19)15(20)18-12-1-2-12/h5-7,12,14H,1-4,8-9,17H2,(H,18,20)
InChIKeyXRUGLQDXANEJEJ-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102210
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide (CID 102814248) is 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide is NCc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1.
What is the InChIKey of 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is XRUGLQDXANEJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-11-5-10(8-17)6-13(7-11)19-3-4-21-9-14(19)15(20)18-12-1-2-12/h5-7,12,14H,1-4,8-9,17H2,(H,18,20).
What are the key properties of 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 102814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).