ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine

C21H23F3N2O — CID 144945286

IUPACethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine
SMILESCC.Nc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C1CCOC1
InChIInChI=1S/C19H17F3N2O.C2H6/c20-19(21,22)14-3-1-12(2-4-14)18-10-13-9-15(23)5-6-17(13)24(18)16-7-8-25-11-16;1-2/h1-6,9-10,16H,7-8,11,23H2;1-2H3
InChIKeyXMEDQJUORFITLX-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.90
Rot. Bonds2

About ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine

ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine (PubChem CID 144945286) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine.

Molecular Properties

Compound Nameethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine
PubChem CID144945286
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Nameethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine
SMILESCC.Nc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C1CCOC1
InChIInChI=1S/C19H17F3N2O.C2H6/c20-19(21,22)14-3-1-12(2-4-14)18-10-13-9-15(23)5-6-17(13)24(18)16-7-8-25-11-16;1-2/h1-6,9-10,16H,7-8,11,23H2;1-2H3
InChIKeyXMEDQJUORFITLX-UHFFFAOYSA-N
XLogP5.90
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine
CID 144945360
2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine
CID 144945299
5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
CID 80714219
[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-(oxolan-3-yl)methanamine
CID 171534781
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
5-methoxy-3-(oxolan-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 113286877
2-chloro-1-[(3R,4S)-3-methyloxan-4-yl]-5-(trifluoromethyl)benzimidazole
CID 178002732
2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
CID 66000511
N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
CID 126511267
4-(1-cyclobutyl-6-ethoxyindol-2-yl)aniline
CID 141210533
6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 123542774

Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The IUPAC name of ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine (CID 144945286) is ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine.
What is the SMILES notation for ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The canonical SMILES for ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine is CC.Nc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C1CCOC1.
What is the InChIKey of ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The InChIKey is XMEDQJUORFITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O.C2H6/c20-19(21,22)14-3-1-12(2-4-14)18-10-13-9-15(23)5-6-17(13)24(18)16-7-8-25-11-16;1-2/h1-6,9-10,16H,7-8,11,23H2;1-2H3.
What are the key properties of ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine has a molecular weight of 376.42 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine is sourced from PubChem (CID 144945286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).