1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

C17H27NO2 — CID 82986564

IUPAC1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCC(CC)N(CCOC)C1CCc2c(O)cccc21
InChIInChI=1S/C17H27NO2/c1-4-13(5-2)18(11-12-20-3)16-10-9-15-14(16)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3
InChIKeyONYXADLIIZETBC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds7

About 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82986564) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82986564
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCC(CC)N(CCOC)C1CCc2c(O)cccc21
InChIInChI=1S/C17H27NO2/c1-4-13(5-2)18(11-12-20-3)16-10-9-15-14(16)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3
InChIKeyONYXADLIIZETBC-UHFFFAOYSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82958474
1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82976934
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985858
5-[methyl(2-propan-2-yloxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982832
5-[1-(dimethylamino)propan-2-yl-ethylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 103192654
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 82982103
1-N-(2-methoxyethyl)-1-N-propan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 82965925
1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82982761
1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82977970
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 82986564) is 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is CCC(CC)N(CCOC)C1CCc2c(O)cccc21.
What is the InChIKey of 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ONYXADLIIZETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13(5-2)18(11-12-20-3)16-10-9-15-14(16)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 277.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82986564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).