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

C13H16F3NO — CID 107685102

IUPAC1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CCC(F)(F)F)C1CCc2cc(O)ccc21
InChIInChI=1S/C13H16F3NO/c1-17(7-6-13(14,15)16)12-5-2-9-8-10(18)3-4-11(9)12/h3-4,8,12,18H,2,5-7H2,1H3
InChIKeyQPMREFDMAMUJQX-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.26
Rot. Bonds3

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

1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107685102) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107685102
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CCC(F)(F)F)C1CCc2cc(O)ccc21
InChIInChI=1S/C13H16F3NO/c1-17(7-6-13(14,15)16)12-5-2-9-8-10(18)3-4-11(9)12/h3-4,8,12,18H,2,5-7H2,1H3
InChIKeyQPMREFDMAMUJQX-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
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-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684984
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
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82980837
4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
CID 116532347
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(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107685102) is 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol is CN(CCC(F)(F)F)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QPMREFDMAMUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17(7-6-13(14,15)16)12-5-2-9-8-10(18)3-4-11(9)12/h3-4,8,12,18H,2,5-7H2,1H3.
What are the key properties of 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 259.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).