3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

C14H22N2O2 — CID 107110765

IUPAC3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OCCOCC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)9-17-7-8-18-13-11(3)5-4-6-12(13)14(15)16/h4-6,10H,7-9H2,1-3H3,(H3,15,16)
InChIKeyYZBCBDIMUULEAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.33
Rot. Bonds7

About 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (PubChem CID 107110765) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
PubChem CID107110765
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OCCOCC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)9-17-7-8-18-13-11(3)5-4-6-12(13)14(15)16/h4-6,10H,7-9H2,1-3H3,(H3,15,16)
InChIKeyYZBCBDIMUULEAR-UHFFFAOYSA-N
XLogP2.33
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319
2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 106447803
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (CID 107110765) is 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1OCCOCC(C)C.
What is the InChIKey of 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The InChIKey is YZBCBDIMUULEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)9-17-7-8-18-13-11(3)5-4-6-12(13)14(15)16/h4-6,10H,7-9H2,1-3H3,(H3,15,16).
What are the key properties of 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide has a molecular weight of 250.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107110765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).