4-methyl-2-propoxyaniline

C10H15NO — CID 24698653

IUPAC4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1N
InChIInChI=1S/C10H15NO/c1-3-6-12-10-7-8(2)4-5-9(10)11/h4-5,7H,3,6,11H2,1-2H3
InChIKeyVMVPRSFHXUPUEM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.37
Rot. Bonds3

About 4-methyl-2-propoxyaniline

4-methyl-2-propoxyaniline (PubChem CID 24698653) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-2-propoxyaniline.

Molecular Properties

Compound Name4-methyl-2-propoxyaniline
PubChem CID24698653
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1N
InChIInChI=1S/C10H15NO/c1-3-6-12-10-7-8(2)4-5-9(10)11/h4-5,7H,3,6,11H2,1-2H3
InChIKeyVMVPRSFHXUPUEM-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-2-propoxyaniline 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-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
2-(fluoromethoxy)-4-methylaniline
CID 123529275
4-(3-methylphenyl)sulfanyl-2-propoxyaniline
CID 55233170
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
4-amino-3-propoxybenzamide
CID 63356295
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxyaniline?
The IUPAC name of 4-methyl-2-propoxyaniline (CID 24698653) is 4-methyl-2-propoxyaniline.
What is the SMILES notation for 4-methyl-2-propoxyaniline?
The canonical SMILES for 4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-propoxyaniline?
The InChIKey is VMVPRSFHXUPUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-6-12-10-7-8(2)4-5-9(10)11/h4-5,7H,3,6,11H2,1-2H3.
What are the key properties of 4-methyl-2-propoxyaniline?
4-methyl-2-propoxyaniline has a molecular weight of 165.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxyaniline is sourced from PubChem (CID 24698653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).