2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole

C24H28F3NO — CID 141074608

IUPAC2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole
SMILESCCc1cccc(C(C)(C)CC(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC
InChIInChI=1S/C24H28F3NO/c1-5-16-10-8-11-20(22(16)29-4)23(2,3)15-18(24(25,26)27)14-19-13-17-9-6-7-12-21(17)28-19/h6-13,18,28H,5,14-15H2,1-4H3
InChIKeyNOBRIUSMRMVMBF-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.83
Rot. Bonds7

About 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole

2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole (PubChem CID 141074608) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole.

Molecular Properties

Compound Name2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole
PubChem CID141074608
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole
SMILESCCc1cccc(C(C)(C)CC(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC
InChIInChI=1S/C24H28F3NO/c1-5-16-10-8-11-20(22(16)29-4)23(2,3)15-18(24(25,26)27)14-19-13-17-9-6-7-12-21(17)28-19/h6-13,18,28H,5,14-15H2,1-4H3
InChIKeyNOBRIUSMRMVMBF-UHFFFAOYSA-N
XLogP6.83
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-fluorophenyl)-4-methyl-2-(trifluoromethyl)pentyl]-4-methyl-1H-indole
CID 141074593
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
CID 173055904
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol
CID 22398505
N-[[3,5-bis[(1H-indol-2-ylmethylamino)methyl]-2,4,6-trimethoxyphenyl]methyl]-1-(1H-indol-2-yl)methanamine
CID 72697712
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole?
The IUPAC name of 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole (CID 141074608) is 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole.
What is the SMILES notation for 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole?
The canonical SMILES for 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole is CCc1cccc(C(C)(C)CC(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC.
What is the InChIKey of 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole?
The InChIKey is NOBRIUSMRMVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO/c1-5-16-10-8-11-20(22(16)29-4)23(2,3)15-18(24(25,26)27)14-19-13-17-9-6-7-12-21(17)28-19/h6-13,18,28H,5,14-15H2,1-4H3.
What are the key properties of 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole?
2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole has a molecular weight of 403.49 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole is sourced from PubChem (CID 141074608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).