2-methyl-4-propoxyaniline

C10H15NO — CID 16789341

IUPAC2-methyl-4-propoxyaniline
SMILESCCCOc1ccc(N)c(C)c1
InChIInChI=1S/C10H15NO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7H,3,6,11H2,1-2H3
InChIKeyNATPSDRPRXUTKZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-4-propoxyaniline

2-methyl-4-propoxyaniline (PubChem CID 16789341) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-4-propoxyaniline.

Molecular Properties

Compound Name2-methyl-4-propoxyaniline
PubChem CID16789341
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-4-propoxyaniline
SMILESCCCOc1ccc(N)c(C)c1
InChIInChI=1S/C10H15NO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7H,3,6,11H2,1-2H3
InChIKeyNATPSDRPRXUTKZ-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propoxyaniline?
The IUPAC name of 2-methyl-4-propoxyaniline (CID 16789341) is 2-methyl-4-propoxyaniline.
What is the SMILES notation for 2-methyl-4-propoxyaniline?
The canonical SMILES for 2-methyl-4-propoxyaniline is CCCOc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-propoxyaniline?
The InChIKey is NATPSDRPRXUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7H,3,6,11H2,1-2H3.
What are the key properties of 2-methyl-4-propoxyaniline?
2-methyl-4-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-4-propoxyaniline is sourced from PubChem (CID 16789341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).