2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

C19H18F4N2O — CID 58779122

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESFc1ccc2c(CCNCc3cccc(OCC(F)(F)F)c3)c[nH]c2c1
InChIInChI=1S/C19H18F4N2O/c20-15-4-5-17-14(11-25-18(17)9-15)6-7-24-10-13-2-1-3-16(8-13)26-12-19(21,22)23/h1-5,8-9,11,24-25H,6-7,10,12H2
InChIKeyZVHSOSDOABZJMA-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.58
Rot. Bonds7

About 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (PubChem CID 58779122) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
PubChem CID58779122
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESFc1ccc2c(CCNCc3cccc(OCC(F)(F)F)c3)c[nH]c2c1
InChIInChI=1S/C19H18F4N2O/c20-15-4-5-17-14(11-25-18(17)9-15)6-7-24-10-13-2-1-3-16(8-13)26-12-19(21,22)23/h1-5,8-9,11,24-25H,6-7,10,12H2
InChIKeyZVHSOSDOABZJMA-UHFFFAOYSA-N
XLogP4.58
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 896
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CID 1833
O-Methylbufotenine
CID 1832
Idalopirdine
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5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
PF9601N
CID 9947954
5-Methoxytryptophol
CID 12835
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (CID 58779122) is 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is Fc1ccc2c(CCNCc3cccc(OCC(F)(F)F)c3)c[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The InChIKey is ZVHSOSDOABZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-15-4-5-17-14(11-25-18(17)9-15)6-7-24-10-13-2-1-3-16(8-13)26-12-19(21,22)23/h1-5,8-9,11,24-25H,6-7,10,12H2.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine has a molecular weight of 366.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 58779122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).