2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide

C13H19N3O2 — CID 81202892

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCOC(CO)C1
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(13(14)15)12(6-9)16-4-5-18-10(7-16)8-17/h2-3,6,10,17H,4-5,7-8H2,1H3,(H3,14,15)
InChIKeyFJHAXYOCIIGSLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.48
Rot. Bonds3

About 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide

2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide (PubChem CID 81202892) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
PubChem CID81202892
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCOC(CO)C1
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(13(14)15)12(6-9)16-4-5-18-10(7-16)8-17/h2-3,6,10,17H,4-5,7-8H2,1H3,(H3,14,15)
InChIKeyFJHAXYOCIIGSLC-UHFFFAOYSA-N
XLogP0.48
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide (CID 81202892) is 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCOC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide?
The InChIKey is FJHAXYOCIIGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-3-11(13(14)15)12(6-9)16-4-5-18-10(7-16)8-17/h2-3,6,10,17H,4-5,7-8H2,1H3,(H3,14,15).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide?
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 81202892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).