1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol

C16H23NO2 — CID 107685082

IUPAC1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CC1CCOCC1)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H23NO2/c1-17(11-12-6-8-19-9-7-12)16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10,12,16,18H,2,5-9,11H2,1H3
InChIKeyFHOOLHIMWHEFMI-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.74
Rot. Bonds3

About 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol

1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107685082) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107685082
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CC1CCOCC1)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H23NO2/c1-17(11-12-6-8-19-9-7-12)16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10,12,16,18H,2,5-9,11H2,1H3
InChIKeyFHOOLHIMWHEFMI-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82980837
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114
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-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684985
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 107685007
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
1-(N-ethyl-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684917

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107685082) is 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol is CN(CC1CCOCC1)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is FHOOLHIMWHEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(11-12-6-8-19-9-7-12)16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10,12,16,18H,2,5-9,11H2,1H3.
What are the key properties of 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 261.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107685082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).