N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine

C24H24F6N2 — CID 59920943

IUPACN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine
SMILESCCN(CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C24H24F6N2/c1-2-32(18-6-5-7-18)11-10-20-19-8-3-4-9-21(19)31-22(20)15-12-16(23(25,26)27)14-17(13-15)24(28,29)30/h3-4,8-9,12-14,18,31H,2,5-7,10-11H2,1H3
InChIKeyOTJVUDHPLUUESD-UHFFFAOYSA-N
MW454.46 g/mol
LogP7.29
Rot. Bonds6

About N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine

N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine (PubChem CID 59920943) has the molecular formula C24H24F6N2 and a molecular weight of 454.46 g/mol. Its IUPAC name is N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine.

Molecular Properties

Compound NameN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine
PubChem CID59920943
Molecular FormulaC24H24F6N2
Molecular Weight454.46 g/mol
Exact Mass454.18
IUPAC NameN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine
SMILESCCN(CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C24H24F6N2/c1-2-32(18-6-5-7-18)11-10-20-19-8-3-4-9-21(19)31-22(20)15-12-16(23(25,26)27)14-17(13-15)24(28,29)30/h3-4,8-9,12-14,18,31H,2,5-7,10-11H2,1H3
InChIKeyOTJVUDHPLUUESD-UHFFFAOYSA-N
XLogP7.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine
CID 59920953
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 728820
2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole
CID 11281945
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
CID 59921071
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
CID 69323264
2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
CID 59921018
2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
CID 143177705
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine?
The IUPAC name of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine (CID 59920943) is N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine.
What is the SMILES notation for N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine?
The canonical SMILES for N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine is CCN(CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12)C1CCC1.
What is the InChIKey of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine?
The InChIKey is OTJVUDHPLUUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N2/c1-2-32(18-6-5-7-18)11-10-20-19-8-3-4-9-21(19)31-22(20)15-12-16(23(25,26)27)14-17(13-15)24(28,29)30/h3-4,8-9,12-14,18,31H,2,5-7,10-11H2,1H3.
What are the key properties of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine?
N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine has a molecular weight of 454.46 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine is sourced from PubChem (CID 59920943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).