[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine

C12H13F3N2 — CID 102913583

IUPAC[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
SMILESNCc1cccc2ccn(CCC(F)(F)F)c12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)5-7-17-6-4-9-2-1-3-10(8-16)11(9)17/h1-4,6H,5,7-8,16H2
InChIKeyVQDJIUFXWYKTDL-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.05
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine

[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine (PubChem CID 102913583) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
PubChem CID102913583
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
SMILESNCc1cccc2ccn(CCC(F)(F)F)c12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)5-7-17-6-4-9-2-1-3-10(8-16)11(9)17/h1-4,6H,5,7-8,16H2
InChIKeyVQDJIUFXWYKTDL-UHFFFAOYSA-N
XLogP3.05
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 102913543
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
CID 102917151
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
CID 113474456
[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
CID 105409601
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine (CID 102913583) is [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine is NCc1cccc2ccn(CCC(F)(F)F)c12.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine?
The InChIKey is VQDJIUFXWYKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)5-7-17-6-4-9-2-1-3-10(8-16)11(9)17/h1-4,6H,5,7-8,16H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine?
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine has a molecular weight of 242.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine is sourced from PubChem (CID 102913583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).