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

C16H25NO — CID 107685117

IUPAC1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(C)CN(CC)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H25NO/c1-4-12(3)11-17(5-2)16-9-6-13-10-14(18)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3
InChIKeySNLBYZCCHZGGGE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds5

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

1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107685117) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107685117
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(C)CN(CC)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H25NO/c1-4-12(3)11-17(5-2)16-9-6-13-10-14(18)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3
InChIKeySNLBYZCCHZGGGE-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82965932
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985858
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
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
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
3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
CID 65061323
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107685117) is 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol is CCC(C)CN(CC)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is SNLBYZCCHZGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12(3)11-17(5-2)16-9-6-13-10-14(18)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 247.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107685117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).