5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide

C12H17FN2O — CID 63290768

IUPAC5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC(C)C
InChIInChI=1S/C12H17FN2O/c1-8(2)6-16-7-9-3-4-10(13)5-11(9)12(14)15/h3-5,8H,6-7H2,1-2H3,(H3,14,15)
InChIKeyQRJVWOQCILQKNK-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds5

About 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide

5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide (PubChem CID 63290768) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide
PubChem CID63290768
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC(C)C
InChIInChI=1S/C12H17FN2O/c1-8(2)6-16-7-9-3-4-10(13)5-11(9)12(14)15/h3-5,8H,6-7H2,1-2H3,(H3,14,15)
InChIKeyQRJVWOQCILQKNK-UHFFFAOYSA-N
XLogP2.28
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3,3-Diethoxyisoindol-1-amine
CID 2985018
1-[4-Fluoro-2-(propoxymethyl)phenyl]methanamine
CID 64764840
3-Methoxy-1H-isoindol-1-imine
CID 12328983
3-methoxy-3H-isoindol-1-amine
CID 13353217
[4-Fluoro-2-(methoxymethyl)phenyl]methanamine
CID 59600591
[2-Fluoro-6-(methoxymethyl)phenyl]methanamine
CID 134585519
3-ethoxy-7-fluoro-3H-isoindol-1-amine
CID 151103971
Ethyl 2-ethyl-4-fluorobenzenecarboximidate
CID 162715123
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
3,3-Diethoxy-7-fluoroisoindol-1-amine
CID 177733325
4-(Phenylmethoxymethyl)benzenecarboximidamide
CID 24689909

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide (CID 63290768) is 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COCC(C)C.
What is the InChIKey of 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide?
The InChIKey is QRJVWOQCILQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)6-16-7-9-3-4-10(13)5-11(9)12(14)15/h3-5,8H,6-7H2,1-2H3,(H3,14,15).
What are the key properties of 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide?
5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide has a molecular weight of 224.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 63290768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).