2-methoxy-4-propylaniline

C10H15NO — CID 4712168

IUPAC2-methoxy-4-propylaniline
SMILESCCCc1ccc(N)c(OC)c1
InChIInChI=1S/C10H15NO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4,11H2,1-2H3
InChIKeyWWWPANDHCHDVDG-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.23
Rot. Bonds3

About 2-methoxy-4-propylaniline

2-methoxy-4-propylaniline (PubChem CID 4712168) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methoxy-4-propylaniline.

Molecular Properties

Compound Name2-methoxy-4-propylaniline
PubChem CID4712168
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methoxy-4-propylaniline
SMILESCCCc1ccc(N)c(OC)c1
InChIInChI=1S/C10H15NO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4,11H2,1-2H3
InChIKeyWWWPANDHCHDVDG-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-methoxy-4-propylaniline?
The IUPAC name of 2-methoxy-4-propylaniline (CID 4712168) is 2-methoxy-4-propylaniline.
What is the SMILES notation for 2-methoxy-4-propylaniline?
The canonical SMILES for 2-methoxy-4-propylaniline is CCCc1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-propylaniline?
The InChIKey is WWWPANDHCHDVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 2-methoxy-4-propylaniline?
2-methoxy-4-propylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propylaniline is sourced from PubChem (CID 4712168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).