[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine

C11H11F3N2 — CID 105485238

IUPAC[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
SMILESCn1cc(CN)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2/c1-16-6-7(5-15)9-3-2-8(4-10(9)16)11(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyVXFYRAZDPMMFFP-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.66
Rot. Bonds1

About [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine

[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 105485238) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID105485238
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
SMILESCn1cc(CN)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2/c1-16-6-7(5-15)9-3-2-8(4-10(9)16)11(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyVXFYRAZDPMMFFP-UHFFFAOYSA-N
XLogP2.66
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
CID 175473195
2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 86664378
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120939
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol
CID 117122087
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 62103801

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine (CID 105485238) is [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine is Cn1cc(CN)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is VXFYRAZDPMMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16-6-7(5-15)9-3-2-8(4-10(9)16)11(12,13)14/h2-4,6H,5,15H2,1H3.
What are the key properties of [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine?
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine has a molecular weight of 228.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 105485238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).