(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol

C14H19NO2 — CID 91776751

IUPAC(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol
SMILESO[C@@H]1COCC[C@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c16-14-9-17-6-5-13(14)15-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-16H,5-9H2/t13-,14-/m1/s1
InChIKeyIFAILAFEXRCLPM-ZIAGYGMSSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds2

About (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol

(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol (PubChem CID 91776751) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol
PubChem CID91776751
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol
SMILESO[C@@H]1COCC[C@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c16-14-9-17-6-5-13(14)15-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-16H,5-9H2/t13-,14-/m1/s1
InChIKeyIFAILAFEXRCLPM-ZIAGYGMSSA-N
XLogP0.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(3-phenylpropoxy)-1-[(2R)-piperidin-2-yl]ethanol
CID 14201550
(1S)-2-(3-phenylpropoxy)-1-[(2S)-piperidin-2-yl]ethanol
CID 21595423
2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585254
(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585430
4-[(2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
CID 30983794
(2S)-1-[cyclopropyl(2,3-dihydro-1H-inden-2-yl)amino]-3-ethoxypropan-2-ol
CID 97213567
2-[(2,3-dihydro-1H-inden-2-yl)amino]ethan-1-ol
CID 3028277
3-((2,3-Dihydro-1H-inden-2-yl)amino)-1-propanol hydrochloride
CID 3030974
1-Cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol
CID 60969924
1-(cyclopropylmethoxy)-3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 75427811
4-[2-(4-Fluoro-2-methylphenyl)ethylamino]oxolan-3-ol
CID 80289062

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol?
The IUPAC name of (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol (CID 91776751) is (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol?
The canonical SMILES for (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol is O[C@@H]1COCC[C@H]1NC1Cc2ccccc2C1.
What is the InChIKey of (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol?
The InChIKey is IFAILAFEXRCLPM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14-9-17-6-5-13(14)15-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-16H,5-9H2/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol?
(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-ol is sourced from PubChem (CID 91776751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).