[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine

C10H8BrF3N2 — CID 84643873

IUPAC[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrF3N2/c11-5-1-2-8-6(3-5)7(4-15)9(16-8)10(12,13)14/h1-3,16H,4,15H2
InChIKeyFUDXFAMDQAJUCY-UHFFFAOYSA-N
MW293.09 g/mol
LogP3.41
Rot. Bonds1

About [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine

[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine (PubChem CID 84643873) has the molecular formula C10H8BrF3N2 and a molecular weight of 293.09 g/mol. Its IUPAC name is [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
PubChem CID84643873
Molecular FormulaC10H8BrF3N2
Molecular Weight293.09 g/mol
Exact Mass291.98
IUPAC Name[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrF3N2/c11-5-1-2-8-6(3-5)7(4-15)9(16-8)10(12,13)14/h1-3,16H,4,15H2
InChIKeyFUDXFAMDQAJUCY-UHFFFAOYSA-N
XLogP3.41
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
CID 83678398
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020
[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 83678476
2-[6-bromo-2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
CID 84644730
2-[6-bromo-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylethanamine
CID 84645826
2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84639252
3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine
CID 170868928
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279105
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The IUPAC name of [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine (CID 84643873) is [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine.
What is the SMILES notation for [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The canonical SMILES for [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine is NCc1c(C(F)(F)F)[nH]c2ccc(Br)cc12.
What is the InChIKey of [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The InChIKey is FUDXFAMDQAJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2/c11-5-1-2-8-6(3-5)7(4-15)9(16-8)10(12,13)14/h1-3,16H,4,15H2.
What are the key properties of [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine has a molecular weight of 293.09 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine is sourced from PubChem (CID 84643873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).