(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine

C20H25F3N2O — CID 167042166

IUPAC(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine
SMILESC=C(CC[C@@H](C)n1c(C)c(C(=C)OC)c2ccccc21)NCC(F)(F)F
InChIInChI=1S/C20H25F3N2O/c1-13(24-12-20(21,22)23)10-11-14(2)25-15(3)19(16(4)26-5)17-8-6-7-9-18(17)25/h6-9,14,24H,1,4,10-12H2,2-3,5H3/t14-/m1/s1
InChIKeyWFHDOAWVWMGBEH-CQSZACIVSA-N
MW366.43 g/mol
LogP5.57
Rot. Bonds8

About (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine

(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine (PubChem CID 167042166) has the molecular formula C20H25F3N2O and a molecular weight of 366.43 g/mol. Its IUPAC name is (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine.

Molecular Properties

Compound Name(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine
PubChem CID167042166
Molecular FormulaC20H25F3N2O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine
SMILESC=C(CC[C@@H](C)n1c(C)c(C(=C)OC)c2ccccc21)NCC(F)(F)F
InChIInChI=1S/C20H25F3N2O/c1-13(24-12-20(21,22)23)10-11-14(2)25-15(3)19(16(4)26-5)17-8-6-7-9-18(17)25/h6-9,14,24H,1,4,10-12H2,2-3,5H3/t14-/m1/s1
InChIKeyWFHDOAWVWMGBEH-CQSZACIVSA-N
XLogP5.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176159
3-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethyl-1H-indole
CID 3427821
3-morpholin-2-yl-2-phenyl-1H-indole
CID 10588666
2-(3-Benzyloxy-propyl)-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351171
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-methylamino)ethyl)-, hydrobromide
CID 3043822
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride
CID 3042670
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-methylamino)propyl)-, hydrochloride
CID 3043818
1H-(1,4)-Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-ethylamino)ethyl)-, hydrobromide
CID 3043824
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-(3-aminopropyl)-, hydrochloride
CID 3043830
1H-Indole, 3-(methoxymethyl)-
CID 154411
1-ethyl-3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3239675

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine?
The IUPAC name of (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine (CID 167042166) is (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine.
What is the SMILES notation for (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine?
The canonical SMILES for (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine is C=C(CC[C@@H](C)n1c(C)c(C(=C)OC)c2ccccc21)NCC(F)(F)F.
What is the InChIKey of (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine?
The InChIKey is WFHDOAWVWMGBEH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25F3N2O/c1-13(24-12-20(21,22)23)10-11-14(2)25-15(3)19(16(4)26-5)17-8-6-7-9-18(17)25/h6-9,14,24H,1,4,10-12H2,2-3,5H3/t14-/m1/s1.
What are the key properties of (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine?
(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine has a molecular weight of 366.43 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine is sourced from PubChem (CID 167042166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).