4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide

C14H19F3N2O2 — CID 106665829

IUPAC4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(C)(C)OC)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-13(2,20-3)6-7-21-9-4-5-10(12(18)19)11(8-9)14(15,16)17/h4-5,8H,6-7H2,1-3H3,(H3,18,19)
InChIKeyFHERTFRZVZHORC-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.18
Rot. Bonds6

About 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide

4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 106665829) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID106665829
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(C)(C)OC)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-13(2,20-3)6-7-21-9-4-5-10(12(18)19)11(8-9)14(15,16)17/h4-5,8H,6-7H2,1-3H3,(H3,18,19)
InChIKeyFHERTFRZVZHORC-UHFFFAOYSA-N
XLogP3.18
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.18
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

4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
[4-(3-methoxy-3-methylbutoxy)-2-methylphenyl]boronic acid
CID 103034423
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide (CID 106665829) is 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC(C)(C)OC)cc1C(F)(F)F.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FHERTFRZVZHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13(2,20-3)6-7-21-9-4-5-10(12(18)19)11(8-9)14(15,16)17/h4-5,8H,6-7H2,1-3H3,(H3,18,19).
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide?
4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 304.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 106665829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).