4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C12H18FN3O2 — CID 54879771

IUPAC4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCO)Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H18FN3O2/c1-2-16(5-6-17)8-10-4-3-9(7-11(10)13)12(14)15-18/h3-4,7,17-18H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeyVHLVOXGJIFWINP-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.73
Rot. Bonds6

About 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 54879771) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID54879771
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCO)Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H18FN3O2/c1-2-16(5-6-17)8-10-4-3-9(7-11(10)13)12(14)15-18/h3-4,7,17-18H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeyVHLVOXGJIFWINP-UHFFFAOYSA-N
XLogP0.73
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.73
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 54879771) is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCN(CCO)Cc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VHLVOXGJIFWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-2-16(5-6-17)8-10-4-3-9(7-11(10)13)12(14)15-18/h3-4,7,17-18H,2,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 255.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54879771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).