2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine

C11H11F3N2 — CID 62095860

IUPAC2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)7-15-6-9-5-8-3-1-2-4-10(8)16-9/h1-5,15-16H,6-7H2
InChIKeyBUSZNXRBCYUZEG-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.82
Rot. Bonds3

About 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine (PubChem CID 62095860) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine
PubChem CID62095860
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)7-15-6-9-5-8-3-1-2-4-10(8)16-9/h1-5,15-16H,6-7H2
InChIKeyBUSZNXRBCYUZEG-UHFFFAOYSA-N
XLogP2.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[3,5-bis[(1H-indol-2-ylmethylamino)methyl]phenyl]-5-[(1H-indol-2-ylmethylamino)methyl]phenyl]-N-(1H-indol-2-ylmethyl)methanamine
CID 150046479
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
N-[[3,5-bis[(1H-indol-2-ylmethylamino)methyl]-2,4,6-trimethoxyphenyl]methyl]-1-(1H-indol-2-yl)methanamine
CID 72697712
N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
CID 115763447
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(2-fluoroethyl)-1H-indole
CID 142633825
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-(1H-indol-2-ylmethyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421271
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 172594297
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine (CID 62095860) is 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine is FC(F)(F)CNCc1cc2ccccc2[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine?
The InChIKey is BUSZNXRBCYUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)7-15-6-9-5-8-3-1-2-4-10(8)16-9/h1-5,15-16H,6-7H2.
What are the key properties of 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine has a molecular weight of 228.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine is sourced from PubChem (CID 62095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).