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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).