4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol

C19H23NO2 — CID 23031154

IUPAC4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol
SMILESCc1cc(N)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2
InChIInChI=1S/C19H23NO2/c1-11(2)16-10-13(7-8-18(16)21)22-19-12(3)9-17(20)14-5-4-6-15(14)19/h7-11,21H,4-6,20H2,1-3H3
InChIKeyMYQFYPLQWXMSAB-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.69
Rot. Bonds3

About 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol

4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol (PubChem CID 23031154) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol
PubChem CID23031154
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol
SMILESCc1cc(N)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2
InChIInChI=1S/C19H23NO2/c1-11(2)16-10-13(7-8-18(16)21)22-19-12(3)9-17(20)14-5-4-6-15(14)19/h7-11,21H,4-6,20H2,1-3H3
InChIKeyMYQFYPLQWXMSAB-UHFFFAOYSA-N
XLogP4.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol?
The IUPAC name of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol (CID 23031154) is 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol?
The canonical SMILES for 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol is Cc1cc(N)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2.
What is the InChIKey of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol?
The InChIKey is MYQFYPLQWXMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-11(2)16-10-13(7-8-18(16)21)22-19-12(3)9-17(20)14-5-4-6-15(14)19/h7-11,21H,4-6,20H2,1-3H3.
What are the key properties of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol?
4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol has a molecular weight of 297.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-propan-2-ylphenol is sourced from PubChem (CID 23031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).