1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol

C15H23NO2 — CID 107682417

IUPAC1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(O)(CC)CNC1CCc2cc(O)ccc21
InChIInChI=1S/C15H23NO2/c1-3-15(18,4-2)10-16-14-8-5-11-9-12(17)6-7-13(11)14/h6-7,9,14,16-18H,3-5,8,10H2,1-2H3
InChIKeyPLTDWDBAMWFTHC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds5

About 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol

1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682417) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682417
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(O)(CC)CNC1CCc2cc(O)ccc21
InChIInChI=1S/C15H23NO2/c1-3-15(18,4-2)10-16-14-8-5-11-9-12(17)6-7-13(11)14/h6-7,9,14,16-18H,3-5,8,10H2,1-2H3
InChIKeyPLTDWDBAMWFTHC-UHFFFAOYSA-N
XLogP2.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,2-dimethylpropanenitrile
CID 107682691
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107682417) is 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol is CCC(O)(CC)CNC1CCc2cc(O)ccc21.
What is the InChIKey of 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is PLTDWDBAMWFTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(18,4-2)10-16-14-8-5-11-9-12(17)6-7-13(11)14/h6-7,9,14,16-18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 249.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).