2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine

C21H24F3N — CID 69342635

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(NCCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24F3N/c1-20(2,18-10-9-16-6-4-7-17(16)14-18)25-12-11-15-5-3-8-19(13-15)21(22,23)24/h3,5,8-10,13-14,25H,4,6-7,11-12H2,1-2H3
InChIKeyZEMPSOQPGRJPNC-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.26
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine (PubChem CID 69342635) has the molecular formula C21H24F3N and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine
PubChem CID69342635
Molecular FormulaC21H24F3N
Molecular Weight347.42 g/mol
Exact Mass347.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(NCCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24F3N/c1-20(2,18-10-9-16-6-4-7-17(16)14-18)25-12-11-15-5-3-8-19(13-15)21(22,23)24/h3,5,8-10,13-14,25H,4,6-7,11-12H2,1-2H3
InChIKeyZEMPSOQPGRJPNC-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
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N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
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CID 9021240

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine (CID 69342635) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine is CC(C)(NCCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is ZEMPSOQPGRJPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N/c1-20(2,18-10-9-16-6-4-7-17(16)14-18)25-12-11-15-5-3-8-19(13-15)21(22,23)24/h3,5,8-10,13-14,25H,4,6-7,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 347.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 69342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).