1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol

C18H25NO — CID 107681780

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-11(17-9-12-2-3-13(17)8-12)19-18-7-4-14-10-15(20)5-6-16(14)18/h5-6,10-13,17-20H,2-4,7-9H2,1H3
InChIKeyODUILARPHZLTKX-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.79
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681780) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107681780
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-11(17-9-12-2-3-13(17)8-12)19-18-7-4-14-10-15(20)5-6-16(14)18/h5-6,10-13,17-20H,2-4,7-9H2,1H3
InChIKeyODUILARPHZLTKX-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636969
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43193389
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686630
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (CID 107681780) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol is CC(NC1CCc2cc(O)ccc21)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ODUILARPHZLTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11(17-9-12-2-3-13(17)8-12)19-18-7-4-14-10-15(20)5-6-16(14)18/h5-6,10-13,17-20H,2-4,7-9H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 271.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).