4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide

C15H22FN3O2 — CID 83097570

IUPAC4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ccc(CN)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)12-4-3-11(9-17)13(16)8-12/h3-4,8,14H,2,5-7,9-10,17H2,1H3,(H,18,20)
InChIKeyXVXRNUWYPSXKEA-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.02
Rot. Bonds5

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

4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83097570) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
PubChem CID83097570
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ccc(CN)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)12-4-3-11(9-17)13(16)8-12/h3-4,8,14H,2,5-7,9-10,17H2,1H3,(H,18,20)
InChIKeyXVXRNUWYPSXKEA-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096329
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide (CID 83097570) is 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1ccc(CN)c(F)c1.
What is the InChIKey of 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is XVXRNUWYPSXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)12-4-3-11(9-17)13(16)8-12/h3-4,8,14H,2,5-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide?
4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).