2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine

C14H17F3N2O — CID 102917151

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(CCOCC(F)(F)F)c12
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-20-9-8-19-7-5-12-3-1-2-11(4-6-18)13(12)19/h1-3,5,7H,4,6,8-10,18H2
InChIKeyMVHANROBWWTDAE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine (PubChem CID 102917151) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
PubChem CID102917151
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(CCOCC(F)(F)F)c12
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-20-9-8-19-7-5-12-3-1-2-11(4-6-18)13(12)19/h1-3,5,7H,4,6,8-10,18H2
InChIKeyMVHANROBWWTDAE-UHFFFAOYSA-N
XLogP2.72
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952
2-(1-propylindol-7-yl)ethanamine
CID 102917066
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
CID 102940691
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
CID 106720962
2-[1-(2-thiophen-3-ylethyl)indol-7-yl]ethanamine
CID 102917113
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
CID 102917143
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
1-(2-propoxyethyl)indol-7-amine
CID 106452734

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine (CID 102917151) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine is NCCc1cccc2ccn(CCOCC(F)(F)F)c12.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine?
The InChIKey is MVHANROBWWTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-20-9-8-19-7-5-12-3-1-2-11(4-6-18)13(12)19/h1-3,5,7H,4,6,8-10,18H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine has a molecular weight of 286.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine is sourced from PubChem (CID 102917151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).