4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide

C13H18N2O — CID 106202035

IUPAC4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC2CC2)cc1C
InChIInChI=1S/C13H18N2O/c1-9-8-11(4-5-12(9)13(14)15)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyRAGHPMFKULFBJD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide

4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide (PubChem CID 106202035) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
PubChem CID106202035
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC2CC2)cc1C
InChIInChI=1S/C13H18N2O/c1-9-8-11(4-5-12(9)13(14)15)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyRAGHPMFKULFBJD-UHFFFAOYSA-N
XLogP2.46
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
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

4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
CID 106199654
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
CID 83134949
2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
CID 106202032
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide (CID 106202035) is 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC2CC2)cc1C.
What is the InChIKey of 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide?
The InChIKey is RAGHPMFKULFBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-8-11(4-5-12(9)13(14)15)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H3,14,15).
What are the key properties of 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide?
4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide has a molecular weight of 218.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 106202035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).