N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H21F3N2 — CID 80577188

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyYKKNFJVNQUIQPQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 80577188) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID80577188
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyYKKNFJVNQUIQPQ-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 80577154
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
CID 80577137
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82951861
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
CID 80577083
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80573170
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-ethylethanamine
CID 80577124
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82739817
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 80577188) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CCC1CNc2ccccc21)CC(F)(F)F.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is YKKNFJVNQUIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 80577188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).