(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine

C15H19F3N2 — CID 166911238

IUPAC(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCc1ccc2c([C@H](N)C(F)(F)F)cn(CC(C)C)c2c1
InChIInChI=1S/C15H19F3N2/c1-9(2)7-20-8-12(14(19)15(16,17)18)11-5-4-10(3)6-13(11)20/h4-6,8-9,14H,7,19H2,1-3H3/t14-/m0/s1
InChIKeyYPTXOCFFJBVCMX-AWEZNQCLSA-N
MW284.33 g/mol
LogP4.17
Rot. Bonds3

About (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine

(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine (PubChem CID 166911238) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
PubChem CID166911238
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCc1ccc2c([C@H](N)C(F)(F)F)cn(CC(C)C)c2c1
InChIInChI=1S/C15H19F3N2/c1-9(2)7-20-8-12(14(19)15(16,17)18)11-5-4-10(3)6-13(11)20/h4-6,8-9,14H,7,19H2,1-3H3/t14-/m0/s1
InChIKeyYPTXOCFFJBVCMX-AWEZNQCLSA-N
XLogP4.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
6,8-Dimethyl-8,9-didehydroergoline
CID 287403

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine (CID 166911238) is (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine is Cc1ccc2c([C@H](N)C(F)(F)F)cn(CC(C)C)c2c1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine?
The InChIKey is YPTXOCFFJBVCMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-9(2)7-20-8-12(14(19)15(16,17)18)11-5-4-10(3)6-13(11)20/h4-6,8-9,14H,7,19H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine?
(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine is sourced from PubChem (CID 166911238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).