4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 61451380

IUPAC4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-21-7-6-20(9-2-3-9)10-4-5-11(13(18)19)12(8-10)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H3,18,19)
InChIKeyVEFLHVGKAFFUFZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.60
Rot. Bonds6

About 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide

4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 61451380) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID61451380
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-21-7-6-20(9-2-3-9)10-4-5-11(13(18)19)12(8-10)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H3,18,19)
InChIKeyVEFLHVGKAFFUFZ-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.60
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-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
4-[butyl(cyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61443340
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
CID 81279187
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 114066816
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216
4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 106665829

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide (CID 61451380) is 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCOC)C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VEFLHVGKAFFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-21-7-6-20(9-2-3-9)10-4-5-11(13(18)19)12(8-10)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H3,18,19).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 301.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 61451380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).