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

C15H23NO2 — CID 64913231

IUPAC3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCC(C)O
InChIInChI=1S/C15H23NO2/c1-9-4-5-13(18)15-12(8-10(2)14(9)15)16-7-6-11(3)17/h4-5,10-12,16-18H,6-8H2,1-3H3
InChIKeyZDPILDOEECRXMS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.61
Rot. Bonds4

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

3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 64913231) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID64913231
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCC(C)O
InChIInChI=1S/C15H23NO2/c1-9-4-5-13(18)15-12(8-10(2)14(9)15)16-7-6-11(3)17/h4-5,10-12,16-18H,6-8H2,1-3H3
InChIKeyZDPILDOEECRXMS-UHFFFAOYSA-N
XLogP2.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 64913231) is 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCCC(C)O.
What is the InChIKey of 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ZDPILDOEECRXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-4-5-13(18)15-12(8-10(2)14(9)15)16-7-6-11(3)17/h4-5,10-12,16-18H,6-8H2,1-3H3.
What are the key properties of 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 64913231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).