3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole

C24H30FN — CID 71020147

IUPAC3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole
SMILESCCc1c(C[C@H](C)CC)n(CCc2ccc(F)cc2)c2ccc(C)cc12
InChIInChI=1S/C24H30FN/c1-5-17(3)16-24-21(6-2)22-15-18(4)7-12-23(22)26(24)14-13-19-8-10-20(25)11-9-19/h7-12,15,17H,5-6,13-14,16H2,1-4H3/t17-/m1/s1
InChIKeyNLGYTKHVEXKDCK-QGZVFWFLSA-N
MW351.51 g/mol
LogP6.48
Rot. Bonds7

About 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole

3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole (PubChem CID 71020147) has the molecular formula C24H30FN and a molecular weight of 351.51 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole
PubChem CID71020147
Molecular FormulaC24H30FN
Molecular Weight351.51 g/mol
Exact Mass351.24
IUPAC Name3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole
SMILESCCc1c(C[C@H](C)CC)n(CCc2ccc(F)cc2)c2ccc(C)cc12
InChIInChI=1S/C24H30FN/c1-5-17(3)16-24-21(6-2)22-15-18(4)7-12-23(22)26(24)14-13-19-8-10-20(25)11-9-19/h7-12,15,17H,5-6,13-14,16H2,1-4H3/t17-/m1/s1
InChIKeyNLGYTKHVEXKDCK-QGZVFWFLSA-N
XLogP6.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-fluorophenyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 144579435
(1R)-5-[2-(4-fluorophenyl)ethyl]-1,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium
CID 144579409
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
ethane;(1R)-5-[2-(4-fluorophenyl)ethyl]-1,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;(3R)-5-[2-(4-fluorophenyl)ethyl]-2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 143798800
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343
5-[(4-fluorophenyl)methyl]-8-methyl-3-(2-phenylethyl)pyrimido[5,4-b]indol-4-one
CID 53026598

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole?
The IUPAC name of 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole (CID 71020147) is 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole.
What is the SMILES notation for 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole?
The canonical SMILES for 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole is CCc1c(C[C@H](C)CC)n(CCc2ccc(F)cc2)c2ccc(C)cc12.
What is the InChIKey of 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole?
The InChIKey is NLGYTKHVEXKDCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30FN/c1-5-17(3)16-24-21(6-2)22-15-18(4)7-12-23(22)26(24)14-13-19-8-10-20(25)11-9-19/h7-12,15,17H,5-6,13-14,16H2,1-4H3/t17-/m1/s1.
What are the key properties of 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole?
3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole has a molecular weight of 351.51 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-fluorophenyl)ethyl]-5-methyl-2-[(2R)-2-methylbutyl]indole is sourced from PubChem (CID 71020147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).