(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C18H17F3N2 — CID 97135081

IUPAC(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc2[nH]cc([C@@H](CN)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H17F3N2/c1-11-5-6-17-14(7-11)16(10-23-17)15(9-22)12-3-2-4-13(8-12)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3/t15-/m0/s1
InChIKeyHPPFHHUEIHXERW-HNNXBMFYSA-N
MW318.34 g/mol
LogP4.59
Rot. Bonds3

About (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 97135081) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID97135081
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc2[nH]cc([C@@H](CN)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H17F3N2/c1-11-5-6-17-14(7-11)16(10-23-17)15(9-22)12-3-2-4-13(8-12)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3/t15-/m0/s1
InChIKeyHPPFHHUEIHXERW-HNNXBMFYSA-N
XLogP4.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 75365778
2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine
CID 83987534
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
(3S)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 97135081) is (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is Cc1ccc2[nH]cc([C@@H](CN)c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HPPFHHUEIHXERW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-11-5-6-17-14(7-11)16(10-23-17)15(9-22)12-3-2-4-13(8-12)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 318.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 97135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).