[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine

C11H12F3N — CID 115029003

IUPAC[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESNCC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-2-1-8-3-7(6-15)4-9(8)5-10/h1-2,5,7H,3-4,6,15H2
InChIKeyGXBACHXZNWPQFN-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.38
Rot. Bonds1

About [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine

[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine (PubChem CID 115029003) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
PubChem CID115029003
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESNCC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-2-1-8-3-7(6-15)4-9(8)5-10/h1-2,5,7H,3-4,6,15H2
InChIKeyGXBACHXZNWPQFN-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
CID 178136681
5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 174685755
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 73424795
[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 19079501
2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 172603248
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727
2-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]ethanamine
CID 117200585
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
CID 177205347
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine (CID 115029003) is [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine is NCC1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine?
The InChIKey is GXBACHXZNWPQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10-2-1-8-3-7(6-15)4-9(8)5-10/h1-2,5,7H,3-4,6,15H2.
What are the key properties of [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine?
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 115029003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).