3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride

C11H16ClFN2O — CID 82253205

IUPAC3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCC(C)C)c(F)c1
InChIInChI=1S/C11H15FN2O.ClH/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12;/h3-5,7H,6H2,1-2H3,(H3,13,14);1H
InChIKeyNKCOUZZXEQOCTC-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.57
Rot. Bonds4

About 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride

3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride (PubChem CID 82253205) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
PubChem CID82253205
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCC(C)C)c(F)c1
InChIInChI=1S/C11H15FN2O.ClH/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12;/h3-5,7H,6H2,1-2H3,(H3,13,14);1H
InChIKeyNKCOUZZXEQOCTC-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.57
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

4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 107666684

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride (CID 82253205) is 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCC(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is NKCOUZZXEQOCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12;/h3-5,7H,6H2,1-2H3,(H3,13,14);1H.
What are the key properties of 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride?
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).