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

C18H22ClNO — CID 45260484

IUPAC3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)C(Cc1ccccc1)C2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-11-8-12(2)18(20)16-15(11)10-14(17(16)19)9-13-6-4-3-5-7-13;/h3-8,14,17,20H,9-10,19H2,1-2H3;1H
InChIKeyBAZPRUOADNIOGA-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.85
Rot. Bonds2

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

3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (PubChem CID 45260484) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
PubChem CID45260484
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)C(Cc1ccccc1)C2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-11-8-12(2)18(20)16-15(11)10-14(17(16)19)9-13-6-4-3-5-7-13;/h3-8,14,17,20H,9-10,19H2,1-2H3;1H
InChIKeyBAZPRUOADNIOGA-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.85
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-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The IUPAC name of 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (CID 45260484) is 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is Cc1cc(C)c2c(c1O)C(N)C(Cc1ccccc1)C2.Cl.
What is the InChIKey of 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The InChIKey is BAZPRUOADNIOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-11-8-12(2)18(20)16-15(11)10-14(17(16)19)9-13-6-4-3-5-7-13;/h3-8,14,17,20H,9-10,19H2,1-2H3;1H.
What are the key properties of 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is sourced from PubChem (CID 45260484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).