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

C21H20F6N2 — CID 59920953

IUPACN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H20F6N2/c1-12(2)28-8-7-17-16-5-3-4-6-18(16)29-19(17)13-9-14(20(22,23)24)11-15(10-13)21(25,26)27/h3-6,9-12,28-29H,7-8H2,1-2H3
InChIKeyKGTPBAFWMRJPCZ-UHFFFAOYSA-N
MW414.39 g/mol
LogP6.41
Rot. Bonds5

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

N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine (PubChem CID 59920953) has the molecular formula C21H20F6N2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine
PubChem CID59920953
Molecular FormulaC21H20F6N2
Molecular Weight414.39 g/mol
Exact Mass414.15
IUPAC NameN-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H20F6N2/c1-12(2)28-8-7-17-16-5-3-4-6-18(16)29-19(17)13-9-14(20(22,23)24)11-15(10-13)21(25,26)27/h3-6,9-12,28-29H,7-8H2,1-2H3
InChIKeyKGTPBAFWMRJPCZ-UHFFFAOYSA-N
XLogP6.41
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine
CID 59920943
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
CID 69323264
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
CID 141150284
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
methyl (2S)-2-acetamido-3-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]propanoate
CID 102236806
trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
CID 11452145
3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole
CID 151105691
N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 88863659
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3565408

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine (CID 59920953) is N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine is CC(C)NCCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine?
The InChIKey is KGTPBAFWMRJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2/c1-12(2)28-8-7-17-16-5-3-4-6-18(16)29-19(17)13-9-14(20(22,23)24)11-15(10-13)21(25,26)27/h3-6,9-12,28-29H,7-8H2,1-2H3.
What are the key properties of N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine?
N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine has a molecular weight of 414.39 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 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]propan-2-amine is sourced from PubChem (CID 59920953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).