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

C14H18F3NO2 — CID 79375006

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC(F)(F)F)C1Cc2ccc(OC)cc2C1O
InChIInChI=1S/C14H18F3NO2/c1-3-18(8-14(15,16)17)12-6-9-4-5-10(20-2)7-11(9)13(12)19/h4-5,7,12-13,19H,3,6,8H2,1-2H3
InChIKeyOZZRODGRMRRXSJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.54
Rot. Bonds4

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 79375006) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID79375006
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC(F)(F)F)C1Cc2ccc(OC)cc2C1O
InChIInChI=1S/C14H18F3NO2/c1-3-18(8-14(15,16)17)12-6-9-4-5-10(20-2)7-11(9)13(12)19/h4-5,7,12-13,19H,3,6,8H2,1-2H3
InChIKeyOZZRODGRMRRXSJ-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374372
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
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
7-methoxy-2-[propan-2-yl(propyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247603
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 79375006) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol is CCN(CC(F)(F)F)C1Cc2ccc(OC)cc2C1O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OZZRODGRMRRXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-18(8-14(15,16)17)12-6-9-4-5-10(20-2)7-11(9)13(12)19/h4-5,7,12-13,19H,3,6,8H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79375006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).