1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol

C18H25NO — CID 43636969

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-11(16-10-12-5-6-13(16)9-12)19-17-8-7-15-14(17)3-2-4-18(15)20/h2-4,11-13,16-17,19-20H,5-10H2,1H3
InChIKeyBEGDXPGISDAQKU-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-4-ol

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43636969) 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-4-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43636969
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-4-ol
SMILESCC(NC1CCc2c(O)cccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-11(16-10-12-5-6-13(16)9-12)19-17-8-7-15-14(17)3-2-4-18(15)20/h2-4,11-13,16-17,19-20H,5-10H2,1H3
InChIKeyBEGDXPGISDAQKU-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

Analyze 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681780
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43193389
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686630
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3H-2-benzofuran-1-one
CID 82533830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (CID 43636969) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol is CC(NC1CCc2c(O)cccc21)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BEGDXPGISDAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11(16-10-12-5-6-13(16)9-12)19-17-8-7-15-14(17)3-2-4-18(15)20/h2-4,11-13,16-17,19-20H,5-10H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-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-4-ol is sourced from PubChem (CID 43636969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).