2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide

C13H18FN3O2 — CID 102933097

IUPAC2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C13H18FN3O2/c1-8-5-17(6-9(7-18)19-8)11-4-2-3-10(14)12(11)13(15)16/h2-4,8-9,18H,5-7H2,1H3,(H3,15,16)
InChIKeyITMQTMDPKSSQBD-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.70
Rot. Bonds3

About 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide

2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 102933097) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
PubChem CID102933097
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C13H18FN3O2/c1-8-5-17(6-9(7-18)19-8)11-4-2-3-10(14)12(11)13(15)16/h2-4,8-9,18H,5-7H2,1H3,(H3,15,16)
InChIKeyITMQTMDPKSSQBD-UHFFFAOYSA-N
XLogP0.70
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.70
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'}

Analyze 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide 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

2-[1-(4-Fluoro-2-methylphenyl)piperidin-4-yl]oxyethanol
CID 142832562
2-(2,6-Dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153707
1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43313695
[2-(2,6-Dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43313696
1-[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43313713
[5-Fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43313714
1-[4-Fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 43313821
N'-hydroxy-2-(2-methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331336
2-(2-Methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331350
2-(4-Hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331359
2-(2,5-Dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43544649
[2-(2,5-Dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide (CID 102933097) is 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CC(C)OC(CO)C1.
What is the InChIKey of 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is ITMQTMDPKSSQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-5-17(6-9(7-18)19-8)11-4-2-3-10(14)12(11)13(15)16/h2-4,8-9,18H,5-7H2,1H3,(H3,15,16).
What are the key properties of 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 102933097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).