5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol

C15H23NO2 — CID 107683313

IUPAC5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
SMILESCNC1CCc2cc(OCCCCCO)ccc21
InChIInChI=1S/C15H23NO2/c1-16-15-8-5-12-11-13(6-7-14(12)15)18-10-4-2-3-9-17/h6-7,11,15-17H,2-5,8-10H2,1H3
InChIKeyIEJUNASWBATZHY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds7

About 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol

5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol (PubChem CID 107683313) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol.

Molecular Properties

Compound Name5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
PubChem CID107683313
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
SMILESCNC1CCc2cc(OCCCCCO)ccc21
InChIInChI=1S/C15H23NO2/c1-16-15-8-5-12-11-13(6-7-14(12)15)18-10-4-2-3-9-17/h6-7,11,15-17H,2-5,8-10H2,1H3
InChIKeyIEJUNASWBATZHY-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol?
The IUPAC name of 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol (CID 107683313) is 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol.
What is the SMILES notation for 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol?
The canonical SMILES for 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol is CNC1CCc2cc(OCCCCCO)ccc21.
What is the InChIKey of 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol?
The InChIKey is IEJUNASWBATZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-15-8-5-12-11-13(6-7-14(12)15)18-10-4-2-3-9-17/h6-7,11,15-17H,2-5,8-10H2,1H3.
What are the key properties of 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol?
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol is sourced from PubChem (CID 107683313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).