N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine

C13H17F3N2 — CID 80566518

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-2-18(9-13(14,15)16)8-10-7-17-12-6-4-3-5-11(10)12/h3-6,10,17H,2,7-9H2,1H3
InChIKeyRTQZVYSLPRVJJA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.08
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 80566518) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID80566518
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-2-18(9-13(14,15)16)8-10-7-17-12-6-4-3-5-11(10)12/h3-6,10,17H,2,7-9H2,1H3
InChIKeyRTQZVYSLPRVJJA-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylethanamine
CID 80567242
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80573170
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80577188
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
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-(2,2,2-trifluoroethyl)cyclopropanamine
CID 80577154
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 80566518) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine is CCN(CC1CNc2ccccc21)CC(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is RTQZVYSLPRVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-18(9-13(14,15)16)8-10-7-17-12-6-4-3-5-11(10)12/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 258.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 80566518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).