1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol

C15H23NO2 — CID 82711556

IUPAC1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NOCC(C)C
InChIInChI=1S/C15H23NO2/c1-9(2)8-18-16-12-7-11(4)14-10(3)5-6-13(17)15(12)14/h5-6,9,11-12,16-17H,7-8H2,1-4H3
InChIKeyBRNNVHFPKOCCKH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.43
Rot. Bonds4

About 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 82711556) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID82711556
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NOCC(C)C
InChIInChI=1S/C15H23NO2/c1-9(2)8-18-16-12-7-11(4)14-10(3)5-6-13(17)15(12)14/h5-6,9,11-12,16-17H,7-8H2,1-4H3
InChIKeyBRNNVHFPKOCCKH-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol (CID 82711556) is 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NOCC(C)C.
What is the InChIKey of 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BRNNVHFPKOCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9(2)8-18-16-12-7-11(4)14-10(3)5-6-13(17)15(12)14/h5-6,9,11-12,16-17H,7-8H2,1-4H3.
What are the key properties of 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 249.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).