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

C15H23NO3 — CID 107683826

IUPAC1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
SMILESCCNC1CCc2cc(OCC(O)COC)ccc21
InChIInChI=1S/C15H23NO3/c1-3-16-15-7-4-11-8-13(5-6-14(11)15)19-10-12(17)9-18-2/h5-6,8,12,15-17H,3-4,7,9-10H2,1-2H3
InChIKeyLQJIUOHQYURWFQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.67
Rot. Bonds7

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

1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol (PubChem CID 107683826) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
PubChem CID107683826
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
SMILESCCNC1CCc2cc(OCC(O)COC)ccc21
InChIInChI=1S/C15H23NO3/c1-3-16-15-7-4-11-8-13(5-6-14(11)15)19-10-12(17)9-18-2/h5-6,8,12,15-17H,3-4,7,9-10H2,1-2H3
InChIKeyLQJIUOHQYURWFQ-UHFFFAOYSA-N
XLogP1.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
CID 107683685
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
N-ethyl-5-[(2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683619
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol (CID 107683826) is 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol is CCNC1CCc2cc(OCC(O)COC)ccc21.
What is the InChIKey of 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol?
The InChIKey is LQJIUOHQYURWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-16-15-7-4-11-8-13(5-6-14(11)15)19-10-12(17)9-18-2/h5-6,8,12,15-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol?
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 107683826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).