2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide

C14H17F3N2O2 — CID 62381527

IUPAC2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-2-12(11(7-10)13(18)19)21-8-9-3-5-20-6-4-9/h1-2,7,9H,3-6,8H2,(H3,18,19)
InChIKeyZYUHIFNUXHESTC-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.79
Rot. Bonds4

About 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide

2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 62381527) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID62381527
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-2-12(11(7-10)13(18)19)21-8-9-3-5-20-6-4-9/h1-2,7,9H,3-6,8H2,(H3,18,19)
InChIKeyZYUHIFNUXHESTC-UHFFFAOYSA-N
XLogP2.79
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
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'}

Analyze 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053
2-(cyclohexylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 63520358
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
5-methyl-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 107929588

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide (CID 62381527) is 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ZYUHIFNUXHESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-2-12(11(7-10)13(18)19)21-8-9-3-5-20-6-4-9/h1-2,7,9H,3-6,8H2,(H3,18,19).
What are the key properties of 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 302.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 62381527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).