5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide

C11H15FN2O — CID 63182012

IUPAC5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1cc(F)ccc1C
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(12)7-10(8)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyOTPNNEAJXXXOGD-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.49
Rot. Bonds4

About 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide

5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide (PubChem CID 63182012) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
PubChem CID63182012
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1cc(F)ccc1C
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(12)7-10(8)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyOTPNNEAJXXXOGD-UHFFFAOYSA-N
XLogP1.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide 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-bromo-5-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 107924396
N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide
CID 166850908
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63182121
1-[2-(2,4-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111118220
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 106819902
N'-(2-methoxyethyl)quinoline-2-carboximidamide
CID 63222826
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
2-[2-(2,4-difluorophenoxy)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111752239
2-[2-(2,4-difluorophenoxy)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111752240
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide (CID 63182012) is 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide is COCC/N=C(\N)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
The InChIKey is OTPNNEAJXXXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-3-4-9(12)7-10(8)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide has a molecular weight of 210.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 63182012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).