3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride

C18H22ClNO — CID 14030302

IUPAC3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N.Cl
InChIInChI=1S/C18H21NO.ClH/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19;/h4-8,15,17,20H,9,19H2,1-3H3;1H
InChIKeyHWYSTKDLNBQTHP-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.08
Rot. Bonds1

About 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride

3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride (PubChem CID 14030302) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride
PubChem CID14030302
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N.Cl
InChIInChI=1S/C18H21NO.ClH/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19;/h4-8,15,17,20H,9,19H2,1-3H3;1H
InChIKeyHWYSTKDLNBQTHP-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The IUPAC name of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride (CID 14030302) is 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride is Cc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N.Cl.
What is the InChIKey of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The InChIKey is HWYSTKDLNBQTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19;/h4-8,15,17,20H,9,19H2,1-3H3;1H.
What are the key properties of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride?
3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride is sourced from PubChem (CID 14030302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).