2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol

C20H27NO2 — CID 122189660

IUPAC2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol
SMILESCCCc1cc(N)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIInChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3
InChIKeyQNBJKNADRFPYRD-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.95
Rot. Bonds7

About 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol

2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol (PubChem CID 122189660) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol.

Molecular Properties

Compound Name2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol
PubChem CID122189660
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol
SMILESCCCc1cc(N)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIInChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3
InChIKeyQNBJKNADRFPYRD-UHFFFAOYSA-N
XLogP4.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol?
The IUPAC name of 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol (CID 122189660) is 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol.
What is the SMILES notation for 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol?
The canonical SMILES for 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol is CCCc1cc(N)c(O)c(-c2ccc(OCC)c(CCC)c2)c1.
What is the InChIKey of 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol?
The InChIKey is QNBJKNADRFPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3.
What are the key properties of 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol?
2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol has a molecular weight of 313.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol is sourced from PubChem (CID 122189660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).