2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide

C13H19N3O2 — CID 81217697

IUPAC2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
SMILESCC1COC(CN)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10-9-18-12(7-14)8-16(10)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyBGGHAFDOKYEQLW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds2

About 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide

2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide (PubChem CID 81217697) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
PubChem CID81217697
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
SMILESCC1COC(CN)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10-9-18-12(7-14)8-16(10)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyBGGHAFDOKYEQLW-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
CID 81218679
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548
5-methyl-2-(2-phenylethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 110746747
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide (CID 81217697) is 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide is CC1COC(CN)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide?
The InChIKey is BGGHAFDOKYEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-18-12(7-14)8-16(10)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide?
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 81217697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).