3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide

C13H20N2O — CID 60929232

IUPAC3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)(C)CC)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-13(3,4)16-11-7-6-10(12(14)15)8-9(11)2/h6-8H,5H2,1-4H3,(H3,14,15)
InChIKeyPSEQYLATFFCAHU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide

3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide (PubChem CID 60929232) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
PubChem CID60929232
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)(C)CC)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-13(3,4)16-11-7-6-10(12(14)15)8-9(11)2/h6-8H,5H2,1-4H3,(H3,14,15)
InChIKeyPSEQYLATFFCAHU-UHFFFAOYSA-N
XLogP2.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.85
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'}

Analyze 3-methyl-4-(2-methylbutan-2-yloxy)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

4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
CID 142802540
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
4-(tert-butylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide (CID 60929232) is 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC(C)(C)CC)c(C)c1.
What is the InChIKey of 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The InChIKey is PSEQYLATFFCAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-13(3,4)16-11-7-6-10(12(14)15)8-9(11)2/h6-8H,5H2,1-4H3,(H3,14,15).
What are the key properties of 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide?
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 60929232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).