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

C13H18FN3O2 — CID 102933093

IUPAC3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(CO)C2)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-8-5-17(6-10(7-18)19-8)12-3-2-9(13(15)16)4-11(12)14/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16)
InChIKeyPJDRVRFQTLNIIW-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.70
Rot. Bonds3

About 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide

3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 102933093) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
PubChem CID102933093
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(CO)C2)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-8-5-17(6-10(7-18)19-8)12-3-2-9(13(15)16)4-11(12)14/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16)
InChIKeyPJDRVRFQTLNIIW-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'}

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Related Compounds

1-(2-Methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 645604
(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol
CID 90213190
4-[[5-Ethoxy-2-fluoro-6-(2-hydroxyethoxy)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide
CID 173241443
1-Ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 3825047
1-Propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 4600183
diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium
CID 9017502
2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine
CID 9017503
2-(2,6-Dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153707
4-(2,6-Dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320915
4-(2-Methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320917
4-(4-Hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320922
N'-hydroxy-4-(2-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320950

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide (CID 102933093) is 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)OC(CO)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is PJDRVRFQTLNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-5-17(6-10(7-18)19-8)12-3-2-9(13(15)16)4-11(12)14/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16).
What are the key properties of 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide?
3-fluoro-4-[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 3-fluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 102933093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).