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

C17H25NO — CID 81384182

IUPAC1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESC[C@H](NC1CCc2c(O)cccc21)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-12(13-6-3-2-4-7-13)18-16-11-10-15-14(16)8-5-9-17(15)19/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11H2,1H3/t12-,16?/m0/s1
InChIKeyIRMGYSOIGYUHBD-HKALDPMFSA-N
MW259.39 g/mol
LogP3.94
Rot. Bonds3

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

1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 81384182) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID81384182
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESC[C@H](NC1CCc2c(O)cccc21)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-12(13-6-3-2-4-7-13)18-16-11-10-15-14(16)8-5-9-17(15)19/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11H2,1H3/t12-,16?/m0/s1
InChIKeyIRMGYSOIGYUHBD-HKALDPMFSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
1-[1-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637115
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636969
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-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 81384182) is 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol is C[C@H](NC1CCc2c(O)cccc21)C1CCCCC1.
What is the InChIKey of 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IRMGYSOIGYUHBD-HKALDPMFSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(13-6-3-2-4-7-13)18-16-11-10-15-14(16)8-5-9-17(15)19/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11H2,1H3/t12-,16?/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 259.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 81384182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).