5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide

C13H17F3N2O2 — CID 103488641

IUPAC5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC(C)COCC)ccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-19-7-8(2)20-9-4-5-11(13(14,15)16)10(6-9)12(17)18/h4-6,8H,3,7H2,1-2H3,(H3,17,18)
InChIKeyLHLIWCSOFZHSHW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.79
Rot. Bonds6

About 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide

5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 103488641) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID103488641
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC(C)COCC)ccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-19-7-8(2)20-9-4-5-11(13(14,15)16)10(6-9)12(17)18/h4-6,8H,3,7H2,1-2H3,(H3,17,18)
InChIKeyLHLIWCSOFZHSHW-UHFFFAOYSA-N
XLogP2.79
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-pentan-2-yloxy-2-(trifluoromethyl)benzenecarboximidamide
CID 102982109
2-amino-5-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489388
2-amino-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489403
4-(1-ethoxypropan-2-yloxy)-2-methylaniline
CID 103486534
2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
CID 62949045
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
N-[[3-carbamimidoyl-4-(trifluoromethyl)phenyl]methyl]butanamide
CID 129091693
2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 103488627
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468119
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
4-(1-ethoxypropan-2-yloxy)-2-fluoropyridine
CID 103488079

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide (CID 103488641) is 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(OC(C)COCC)ccc1C(F)(F)F.
What is the InChIKey of 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is LHLIWCSOFZHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-19-7-8(2)20-9-4-5-11(13(14,15)16)10(6-9)12(17)18/h4-6,8H,3,7H2,1-2H3,(H3,17,18).
What are the key properties of 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide?
5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 103488641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).