2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C20H21F3N2 — CID 112539174

IUPAC2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCn1cc(C(CN)Cc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C20H21F3N2/c1-2-25-13-18(17-8-3-4-9-19(17)25)15(12-24)10-14-6-5-7-16(11-14)20(21,22)23/h3-9,11,13,15H,2,10,12,24H2,1H3
InChIKeyFXNZRUUXXMWCBX-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.97
Rot. Bonds5

About 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 112539174) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID112539174
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCn1cc(C(CN)Cc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C20H21F3N2/c1-2-25-13-18(17-8-3-4-9-19(17)25)15(12-24)10-14-6-5-7-16(11-14)20(21,22)23/h3-9,11,13,15H,2,10,12,24H2,1H3
InChIKeyFXNZRUUXXMWCBX-UHFFFAOYSA-N
XLogP4.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976905
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
ethyl 2-(1-benzylindol-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylamino]acetate;hydrochloride
CID 67883986
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
2-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83973945
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 112539174) is 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is CCn1cc(C(CN)Cc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is FXNZRUUXXMWCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2/c1-2-25-13-18(17-8-3-4-9-19(17)25)15(12-24)10-14-6-5-7-16(11-14)20(21,22)23/h3-9,11,13,15H,2,10,12,24H2,1H3.
What are the key properties of 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 346.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 112539174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).