5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C21H23FN2O — CID 144962455

IUPAC5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CCc2cc(COc3cc4c(cn3)C3CC3C4)c(F)cc21
InChIInChI=1S/C21H23FN2O/c1-24(2)20-4-3-12-5-15(19(22)9-17(12)20)11-25-21-8-14-6-13-7-16(13)18(14)10-23-21/h5,8-10,13,16,20H,3-4,6-7,11H2,1-2H3
InChIKeyPJPTVCHCXROYPQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.01
Rot. Bonds4

About 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 144962455) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID144962455
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CCc2cc(COc3cc4c(cn3)C3CC3C4)c(F)cc21
InChIInChI=1S/C21H23FN2O/c1-24(2)20-4-3-12-5-15(19(22)9-17(12)20)11-25-21-8-14-6-13-7-16(13)18(14)10-23-21/h5,8-10,13,16,20H,3-4,6-7,11H2,1-2H3
InChIKeyPJPTVCHCXROYPQ-UHFFFAOYSA-N
XLogP4.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

4-[5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-4-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenol
CID 139354929
8-[[5-(4-butoxy-5-fluoro-2-methylphenyl)-4-chloro-2-fluorophenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144825717
N'-[amino(methyl)amino]-4-[5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-4-fluoro-2-(trifluoromethyl)phenyl]-3-fluorobenzenecarboximidamide
CID 144844545
4-[4-[5-[[(2R,4R)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]-2-chloro-4-fluorophenyl]-2-fluoro-5-methylphenoxy]butan-1-ol
CID 134387717
(2R)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfinylpropoxy)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 155149063
8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144962322
8-[[1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-4-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144962458
8-[[2-fluoro-5-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144825588
8-[[5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-fluorophenyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 139354897
4-[4-[5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-4-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]-2-methylbutan-2-ol;formic acid
CID 144825583
8-[[2-fluoro-5-[4-[(4-fluorooxan-4-yl)methoxy]-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;phosphinothious acid
CID 144562920
1-[4-[5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-4-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenyl]-4-methylpiperidin-4-ol;formic acid
CID 144844597

Frequently Asked Questions

What is the IUPAC name of 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 144962455) is 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is CN(C)C1CCc2cc(COc3cc4c(cn3)C3CC3C4)c(F)cc21.
What is the InChIKey of 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PJPTVCHCXROYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-24(2)20-4-3-12-5-15(19(22)9-17(12)20)11-25-21-8-14-6-13-7-16(13)18(14)10-23-21/h5,8-10,13,16,20H,3-4,6-7,11H2,1-2H3.
What are the key properties of 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 338.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)-6-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 144962455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).