3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine

C12H15F3N2 — CID 117199340

IUPAC3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
SMILESNCCCC1CNc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8,17H,2-3,6-7,16H2
InChIKeyPQLLGRVNXOLLEY-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.95
Rot. Bonds3

About 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine

3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine (PubChem CID 117199340) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
PubChem CID117199340
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
SMILESNCCCC1CNc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8,17H,2-3,6-7,16H2
InChIKeyPQLLGRVNXOLLEY-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
CID 117199241
7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 105466528
3-(4,7-dimethyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860377
O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117199931
1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
CID 117199882
2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117199387
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 117199967
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
CID 71450003

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine?
The IUPAC name of 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine (CID 117199340) is 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine is NCCCC1CNc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine?
The InChIKey is PQLLGRVNXOLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8,17H,2-3,6-7,16H2.
What are the key properties of 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine?
3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine has a molecular weight of 244.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine is sourced from PubChem (CID 117199340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).