2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide

C17H19FN2O — CID 79517566

IUPAC2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19FN2O/c1-10(2)12-8-7-11(3)15(9-12)21-14-6-4-5-13(18)16(14)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyVCLOAINCDIVHNC-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.33
Rot. Bonds4

About 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide

2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 79517566) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID79517566
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19FN2O/c1-10(2)12-8-7-11(3)15(9-12)21-14-6-4-5-13(18)16(14)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyVCLOAINCDIVHNC-UHFFFAOYSA-N
XLogP4.33
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.33
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

2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (CID 79517566) is 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is VCLOAINCDIVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-10(2)12-8-7-11(3)15(9-12)21-14-6-4-5-13(18)16(14)17(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 286.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 79517566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).