3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol

C15H23NO2 — CID 111333724

IUPAC3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)C1CCc2ccccc21
InChIInChI=1S/C15H23NO2/c17-11-3-9-16(10-4-12-18)15-8-7-13-5-1-2-6-14(13)15/h1-2,5-6,15,17-18H,3-4,7-12H2
InChIKeyOEJUYISDTHVXTB-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.74
Rot. Bonds7

About 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol

3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 111333724) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
PubChem CID111333724
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)C1CCc2ccccc21
InChIInChI=1S/C15H23NO2/c17-11-3-9-16(10-4-12-18)15-8-7-13-5-1-2-6-14(13)15/h1-2,5-6,15,17-18H,3-4,7-12H2
InChIKeyOEJUYISDTHVXTB-UHFFFAOYSA-N
XLogP1.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936419
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936420
3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 111333738
3-[[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]methyl]-4-fluorobenzonitrile
CID 111333733
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol (CID 111333724) is 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol is OCCCN(CCCO)C1CCc2ccccc21.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is OEJUYISDTHVXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-11-3-9-16(10-4-12-18)15-8-7-13-5-1-2-6-14(13)15/h1-2,5-6,15,17-18H,3-4,7-12H2.
What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol?
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 111333724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).