2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine

C13H15F3N2 — CID 83919995

IUPAC2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
SMILESCc1c(CCN)n(C)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H15F3N2/c1-8-9-4-3-5-10(13(14,15)16)12(9)18(2)11(8)6-7-17/h3-5H,6-7,17H2,1-2H3
InChIKeyKNSVXFUHKNKAHI-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.01
Rot. Bonds2

About 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine

2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine (PubChem CID 83919995) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
PubChem CID83919995
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
SMILESCc1c(CCN)n(C)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H15F3N2/c1-8-9-4-3-5-10(13(14,15)16)12(9)18(2)11(8)6-7-17/h3-5H,6-7,17H2,1-2H3
InChIKeyKNSVXFUHKNKAHI-UHFFFAOYSA-N
XLogP3.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanone
CID 83919945
3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263247
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263305
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
2-amino-2-[1,2-dimethyl-7-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073090
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
5-[1,2-dimethyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108721

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine?
The IUPAC name of 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine (CID 83919995) is 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine.
What is the SMILES notation for 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine?
The canonical SMILES for 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine is Cc1c(CCN)n(C)c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine?
The InChIKey is KNSVXFUHKNKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-8-9-4-3-5-10(13(14,15)16)12(9)18(2)11(8)6-7-17/h3-5H,6-7,17H2,1-2H3.
What are the key properties of 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine?
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine has a molecular weight of 256.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine is sourced from PubChem (CID 83919995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).