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

C19H23NO2 — CID 23031084

IUPAC4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol
SMILESCCc1c(O)ccc(Oc2c(C)cc(N)c3c2CCC3)c1C
InChIInChI=1S/C19H23NO2/c1-4-13-12(3)18(9-8-17(13)21)22-19-11(2)10-16(20)14-6-5-7-15(14)19/h8-10,21H,4-7,20H2,1-3H3
InChIKeyIRWDSDMJVIUHEL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.43
Rot. Bonds3

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

4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol (PubChem CID 23031084) 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-ethyl-3-methylphenol.

Molecular Properties

Compound Name4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol
PubChem CID23031084
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-ethyl-3-methylphenol
SMILESCCc1c(O)ccc(Oc2c(C)cc(N)c3c2CCC3)c1C
InChIInChI=1S/C19H23NO2/c1-4-13-12(3)18(9-8-17(13)21)22-19-11(2)10-16(20)14-6-5-7-15(14)19/h8-10,21H,4-7,20H2,1-3H3
InChIKeyIRWDSDMJVIUHEL-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
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-ethyl-3-methylphenol?
The IUPAC name of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol (CID 23031084) is 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol.
What is the SMILES notation for 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol?
The canonical SMILES for 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol is CCc1c(O)ccc(Oc2c(C)cc(N)c3c2CCC3)c1C.
What is the InChIKey of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol?
The InChIKey is IRWDSDMJVIUHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-13-12(3)18(9-8-17(13)21)22-19-11(2)10-16(20)14-6-5-7-15(14)19/h8-10,21H,4-7,20H2,1-3H3.
What are the key properties of 4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol?
4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-methylphenol has a molecular weight of 297.40 g/mol, XLogP of 4.43, 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-ethyl-3-methylphenol is sourced from PubChem (CID 23031084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).