2-(4-aminophenoxy)-5-propylphenol

C15H17NO2 — CID 52946825

IUPAC2-(4-aminophenoxy)-5-propylphenol
SMILESCCCc1ccc(Oc2ccc(N)cc2)c(O)c1
InChIInChI=1S/C15H17NO2/c1-2-3-11-4-9-15(14(17)10-11)18-13-7-5-12(16)6-8-13/h4-10,17H,2-3,16H2,1H3
InChIKeyCIKCANOTXAHYEO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-aminophenoxy)-5-propylphenol

2-(4-aminophenoxy)-5-propylphenol (PubChem CID 52946825) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-5-propylphenol.

Molecular Properties

Compound Name2-(4-aminophenoxy)-5-propylphenol
PubChem CID52946825
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(4-aminophenoxy)-5-propylphenol
SMILESCCCc1ccc(Oc2ccc(N)cc2)c(O)c1
InChIInChI=1S/C15H17NO2/c1-2-3-11-4-9-15(14(17)10-11)18-13-7-5-12(16)6-8-13/h4-10,17H,2-3,16H2,1H3
InChIKeyCIKCANOTXAHYEO-UHFFFAOYSA-N
XLogP3.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-5-propylphenol?
The IUPAC name of 2-(4-aminophenoxy)-5-propylphenol (CID 52946825) is 2-(4-aminophenoxy)-5-propylphenol.
What is the SMILES notation for 2-(4-aminophenoxy)-5-propylphenol?
The canonical SMILES for 2-(4-aminophenoxy)-5-propylphenol is CCCc1ccc(Oc2ccc(N)cc2)c(O)c1.
What is the InChIKey of 2-(4-aminophenoxy)-5-propylphenol?
The InChIKey is CIKCANOTXAHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-3-11-4-9-15(14(17)10-11)18-13-7-5-12(16)6-8-13/h4-10,17H,2-3,16H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-5-propylphenol?
2-(4-aminophenoxy)-5-propylphenol has a molecular weight of 243.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-5-propylphenol is sourced from PubChem (CID 52946825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).