6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol

C13H16F3NO2 — CID 79374795

IUPAC6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC(F)(F)F)C2
InChIInChI=1S/C13H16F3NO2/c1-17(7-13(14,15)16)11-5-8-3-4-9(19-2)6-10(8)12(11)18/h3-4,6,11-12,18H,5,7H2,1-2H3
InChIKeyVESPEGMUEYTTDR-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.15
Rot. Bonds3

About 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol

6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 79374795) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID79374795
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC(F)(F)F)C2
InChIInChI=1S/C13H16F3NO2/c1-17(7-13(14,15)16)11-5-8-3-4-9(19-2)6-10(8)12(11)18/h3-4,6,11-12,18H,5,7H2,1-2H3
InChIKeyVESPEGMUEYTTDR-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79375006
6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374372
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248625
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol (CID 79374795) is 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(N(C)CC(F)(F)F)C2.
What is the InChIKey of 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VESPEGMUEYTTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-17(7-13(14,15)16)11-5-8-3-4-9(19-2)6-10(8)12(11)18/h3-4,6,11-12,18H,5,7H2,1-2H3.
What are the key properties of 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol?
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 275.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79374795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).