2-methyl-3-propoxyaniline

C10H15NO — CID 23134606

IUPAC2-methyl-3-propoxyaniline
SMILESCCCOc1cccc(N)c1C
InChIInChI=1S/C10H15NO/c1-3-7-12-10-6-4-5-9(11)8(10)2/h4-6H,3,7,11H2,1-2H3
InChIKeyZIZCTKQDTVUKSF-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-3-propoxyaniline

2-methyl-3-propoxyaniline (PubChem CID 23134606) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-3-propoxyaniline.

Molecular Properties

Compound Name2-methyl-3-propoxyaniline
PubChem CID23134606
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-3-propoxyaniline
SMILESCCCOc1cccc(N)c1C
InChIInChI=1S/C10H15NO/c1-3-7-12-10-6-4-5-9(11)8(10)2/h4-6H,3,7,11H2,1-2H3
InChIKeyZIZCTKQDTVUKSF-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'}

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Related Compounds

3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
1,3-dibutoxy-2-methylbenzene
CID 14475066
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
CID 162436192
3-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propoxyaniline?
The IUPAC name of 2-methyl-3-propoxyaniline (CID 23134606) is 2-methyl-3-propoxyaniline.
What is the SMILES notation for 2-methyl-3-propoxyaniline?
The canonical SMILES for 2-methyl-3-propoxyaniline is CCCOc1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-propoxyaniline?
The InChIKey is ZIZCTKQDTVUKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-7-12-10-6-4-5-9(11)8(10)2/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 2-methyl-3-propoxyaniline?
2-methyl-3-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 2-methyl-3-propoxyaniline is sourced from PubChem (CID 23134606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).