5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide

C12H17FN2O2 — CID 63668159

IUPAC5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCOC(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(2)16-5-6-17-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15)
InChIKeyYGPDLIKSMBXCJQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.91
Rot. Bonds6

About 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide

5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide (PubChem CID 63668159) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
PubChem CID63668159
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCOC(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(2)16-5-6-17-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15)
InChIKeyYGPDLIKSMBXCJQ-UHFFFAOYSA-N
XLogP1.91
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794928
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
5-fluoro-2-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 106447630
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide (CID 63668159) is 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OCCOC(C)C.
What is the InChIKey of 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The InChIKey is YGPDLIKSMBXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)16-5-6-17-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15).
What are the key properties of 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide has a molecular weight of 240.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 63668159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).