2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide

C15H19F3N2O — CID 43153728

IUPAC2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OC1CCC(C)CC1
InChIInChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)21-13-7-4-10(15(16,17)18)8-12(13)14(19)20/h4,7-9,11H,2-3,5-6H2,1H3,(H3,19,20)
InChIKeyMDDJZSCEHDCKCN-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide

2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43153728) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43153728
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OC1CCC(C)CC1
InChIInChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)21-13-7-4-10(15(16,17)18)8-12(13)14(19)20/h4,7-9,11H,2-3,5-6H2,1H3,(H3,19,20)
InChIKeyMDDJZSCEHDCKCN-UHFFFAOYSA-N
XLogP3.95
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.95
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

5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 62381527
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711
2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 167434690
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
2-(oxetan-3-yloxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 102606341
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide (CID 43153728) is 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1OC1CCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is MDDJZSCEHDCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)21-13-7-4-10(15(16,17)18)8-12(13)14(19)20/h4,7-9,11H,2-3,5-6H2,1H3,(H3,19,20).
What are the key properties of 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide?
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 300.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).