4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol

C18H21NO — CID 82815194

IUPAC4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H21NO/c1-12-10-14(20)8-9-16(12)19-17-15-7-5-4-6-13(15)11-18(17,2)3/h4-10,17,19-20H,11H2,1-3H3
InChIKeyOMAMTGJONHYVSY-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.44
Rot. Bonds2

About 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol

4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol (PubChem CID 82815194) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol
PubChem CID82815194
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H21NO/c1-12-10-14(20)8-9-16(12)19-17-15-7-5-4-6-13(15)11-18(17,2)3/h4-10,17,19-20H,11H2,1-3H3
InChIKeyOMAMTGJONHYVSY-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol (CID 82815194) is 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol is Cc1cc(O)ccc1NC1c2ccccc2CC1(C)C.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol?
The InChIKey is OMAMTGJONHYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-10-14(20)8-9-16(12)19-17-15-7-5-4-6-13(15)11-18(17,2)3/h4-10,17,19-20H,11H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol?
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol has a molecular weight of 267.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol is sourced from PubChem (CID 82815194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).