2-methyl-4-(4-propylphenoxy)benzenecarboximidamide

C17H20N2O — CID 81276494

IUPAC2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCC)cc2)cc1C
InChIInChI=1S/C17H20N2O/c1-3-4-13-5-7-14(8-6-13)20-15-9-10-16(17(18)19)12(2)11-15/h5-11H,3-4H2,1-2H3,(H3,18,19)
InChIKeyPKKXGDHXCYSJME-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide

2-methyl-4-(4-propylphenoxy)benzenecarboximidamide (PubChem CID 81276494) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
PubChem CID81276494
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCC)cc2)cc1C
InChIInChI=1S/C17H20N2O/c1-3-4-13-5-7-14(8-6-13)20-15-9-10-16(17(18)19)12(2)11-15/h5-11H,3-4H2,1-2H3,(H3,18,19)
InChIKeyPKKXGDHXCYSJME-UHFFFAOYSA-N
XLogP4.02
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.02
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 2-methyl-4-(4-propylphenoxy)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-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide (CID 81276494) is 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(CCC)cc2)cc1C.
What is the InChIKey of 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide?
The InChIKey is PKKXGDHXCYSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-4-13-5-7-14(8-6-13)20-15-9-10-16(17(18)19)12(2)11-15/h5-11H,3-4H2,1-2H3,(H3,18,19).
What are the key properties of 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide?
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 81276494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).