5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol

C18H21NO2 — CID 82798081

IUPAC5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol
SMILESCOc1ccc(NC2c3ccccc3CC2(C)C)cc1O
InChIInChI=1S/C18H21NO2/c1-18(2)11-12-6-4-5-7-14(12)17(18)19-13-8-9-16(21-3)15(20)10-13/h4-10,17,19-20H,11H2,1-3H3
InChIKeyCHXZLOVUUUJSCS-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.14
Rot. Bonds3

About 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol

5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol (PubChem CID 82798081) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol
PubChem CID82798081
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol
SMILESCOc1ccc(NC2c3ccccc3CC2(C)C)cc1O
InChIInChI=1S/C18H21NO2/c1-18(2)11-12-6-4-5-7-14(12)17(18)19-13-8-9-16(21-3)15(20)10-13/h4-10,17,19-20H,11H2,1-3H3
InChIKeyCHXZLOVUUUJSCS-UHFFFAOYSA-N
XLogP4.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol (CID 82798081) is 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol is COc1ccc(NC2c3ccccc3CC2(C)C)cc1O.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol?
The InChIKey is CHXZLOVUUUJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)11-12-6-4-5-7-14(12)17(18)19-13-8-9-16(21-3)15(20)10-13/h4-10,17,19-20H,11H2,1-3H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol?
5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol is sourced from PubChem (CID 82798081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).