3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol

C17H19NO — CID 14030334

IUPAC3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(C)c2c(c1O)C(N)C(c1ccccc1)C2
InChIInChI=1S/C17H19NO/c1-10-8-11(2)17(19)15-13(10)9-14(16(15)18)12-6-4-3-5-7-12/h3-8,14,16,19H,9,18H2,1-2H3
InChIKeyJHVNHBFPJSLMTF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.35
Rot. Bonds1

About 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol

3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 14030334) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
PubChem CID14030334
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(C)c2c(c1O)C(N)C(c1ccccc1)C2
InChIInChI=1S/C17H19NO/c1-10-8-11(2)17(19)15-13(10)9-14(16(15)18)12-6-4-3-5-7-12/h3-8,14,16,19H,9,18H2,1-2H3
InChIKeyJHVNHBFPJSLMTF-UHFFFAOYSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.35
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-phenyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol (CID 14030334) is 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol is Cc1cc(C)c2c(c1O)C(N)C(c1ccccc1)C2.
What is the InChIKey of 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is JHVNHBFPJSLMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-10-8-11(2)17(19)15-13(10)9-14(16(15)18)12-6-4-3-5-7-12/h3-8,14,16,19H,9,18H2,1-2H3.
What are the key properties of 3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
3-amino-5,7-dimethyl-2-phenyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 253.35 g/mol, XLogP of 3.35, 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-phenyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 14030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).