1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol

C17H27NO — CID 107684994

IUPAC1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(CC)CN(CC)C1CCc2cc(O)ccc21
InChIInChI=1S/C17H27NO/c1-4-13(5-2)12-18(6-3)17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17,19H,4-7,10,12H2,1-3H3
InChIKeyZHEHMOFHFJPUCF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds6

About 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol

1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684994) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107684994
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(CC)CN(CC)C1CCc2cc(O)ccc21
InChIInChI=1S/C17H27NO/c1-4-13(5-2)12-18(6-3)17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17,19H,4-7,10,12H2,1-3H3
InChIKeyZHEHMOFHFJPUCF-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684963
1-(N-ethyl-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684917
1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684984
5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82965932
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107684994) is 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol is CCC(CC)CN(CC)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ZHEHMOFHFJPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13(5-2)12-18(6-3)17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17,19H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 261.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).