3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine

C13H16F3N — CID 115865082

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-17-12(13(14,15)16)8-9-5-6-10-3-2-4-11(10)7-9/h5-7,12,17H,2-4,8H2,1H3
InChIKeyVGQJWTYNEMJJSH-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine

3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine (PubChem CID 115865082) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
PubChem CID115865082
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-17-12(13(14,15)16)8-9-5-6-10-3-2-4-11(10)7-9/h5-7,12,17H,2-4,8H2,1H3
InChIKeyVGQJWTYNEMJJSH-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 115844350
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine
CID 82540074
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine (CID 115865082) is 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine is CNC(Cc1ccc2c(c1)CCC2)C(F)(F)F.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The InChIKey is VGQJWTYNEMJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-17-12(13(14,15)16)8-9-5-6-10-3-2-4-11(10)7-9/h5-7,12,17H,2-4,8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine is sourced from PubChem (CID 115865082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).