N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine

C25H27F3N2 — CID 167467934

IUPACN-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine
SMILESC=C(Nc1c[nH]c2ccc(CCc3ccc(C(F)(F)F)cc3)cc12)C1CC(CC)C1
InChIInChI=1S/C25H27F3N2/c1-3-17-12-20(13-17)16(2)30-24-15-29-23-11-8-19(14-22(23)24)5-4-18-6-9-21(10-7-18)25(26,27)28/h6-11,14-15,17,20,29-30H,2-5,12-13H2,1H3
InChIKeyLFFDVRFLTYCIJY-UHFFFAOYSA-N
MW412.50 g/mol
LogP7.33
Rot. Bonds7

About N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine

N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine (PubChem CID 167467934) has the molecular formula C25H27F3N2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine.

Molecular Properties

Compound NameN-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine
PubChem CID167467934
Molecular FormulaC25H27F3N2
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC NameN-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine
SMILESC=C(Nc1c[nH]c2ccc(CCc3ccc(C(F)(F)F)cc3)cc12)C1CC(CC)C1
InChIInChI=1S/C25H27F3N2/c1-3-17-12-20(13-17)16(2)30-24-15-29-23-11-8-19(14-22(23)24)5-4-18-6-9-21(10-7-18)25(26,27)28/h6-11,14-15,17,20,29-30H,2-5,12-13H2,1H3
InChIKeyLFFDVRFLTYCIJY-UHFFFAOYSA-N
XLogP7.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
5-[3-(2-ethylcyclopropyl)propyl]-N-prop-1-en-2-yl-1H-indol-3-amine
CID 167468234
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
acetylene;3-N-(5-chloro-1H-indol-3-yl)buta-1,3-diene-2,3-diamine;1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene;ethane
CID 156720659
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468236
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine?
The IUPAC name of N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine (CID 167467934) is N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine.
What is the SMILES notation for N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine?
The canonical SMILES for N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine is C=C(Nc1c[nH]c2ccc(CCc3ccc(C(F)(F)F)cc3)cc12)C1CC(CC)C1.
What is the InChIKey of N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine?
The InChIKey is LFFDVRFLTYCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2/c1-3-17-12-20(13-17)16(2)30-24-15-29-23-11-8-19(14-22(23)24)5-4-18-6-9-21(10-7-18)25(26,27)28/h6-11,14-15,17,20,29-30H,2-5,12-13H2,1H3.
What are the key properties of N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine?
N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine has a molecular weight of 412.50 g/mol, XLogP of 7.33, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine is sourced from PubChem (CID 167467934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).