N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine

C12H14F3N — CID 60997427

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)8-16-7-9-4-5-10-2-1-3-11(10)6-9/h4-6,16H,1-3,7-8H2
InChIKeySQXVQMROMQBXSP-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.83
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 60997427) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
PubChem CID60997427
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)8-16-7-9-4-5-10-2-1-3-11(10)6-9/h4-6,16H,1-3,7-8H2
InChIKeySQXVQMROMQBXSP-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 61150769
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838824
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
2,2,2-trifluoro-N-[[3-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]ethanamine
CID 83956694
2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine
CID 141265995
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine (CID 60997427) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is SQXVQMROMQBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)8-16-7-9-4-5-10-2-1-3-11(10)6-9/h4-6,16H,1-3,7-8H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 229.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 60997427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).