1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol

C16H18N2O — CID 81406364

IUPAC1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESC[C@H](NC1CCc2c(O)cccc21)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-11(12-7-9-17-10-8-12)18-15-6-5-14-13(15)3-2-4-16(14)19/h2-4,7-11,15,18-19H,5-6H2,1H3/t11-,15?/m0/s1
InChIKeyFWMZPSZDUYPDSA-VPHXOMNUSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds3

About 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol

1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 81406364) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID81406364
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESC[C@H](NC1CCc2c(O)cccc21)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-11(12-7-9-17-10-8-12)18-15-6-5-14-13(15)3-2-4-16(14)19/h2-4,7-11,15,18-19H,5-6H2,1H3/t11-,15?/m0/s1
InChIKeyFWMZPSZDUYPDSA-VPHXOMNUSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
(1S)-6-bromo-4-fluoro-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 97321638
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
6-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79040850

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 81406364) is 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol is C[C@H](NC1CCc2c(O)cccc21)c1ccncc1.
What is the InChIKey of 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is FWMZPSZDUYPDSA-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(12-7-9-17-10-8-12)18-15-6-5-14-13(15)3-2-4-16(14)19/h2-4,7-11,15,18-19H,5-6H2,1H3/t11-,15?/m0/s1.
What are the key properties of 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 254.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 81406364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).