2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine

C12H17F3N2 — CID 63227343

IUPAC2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCC(F)(F)F)CCCC2N
InChIInChI=1S/C12H17F3N2/c1-8-7-9-10(16)3-2-4-11(9)17(8)6-5-12(13,14)15/h7,10H,2-6,16H2,1H3
InChIKeyWQIGJDIAKHNOGO-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.09
Rot. Bonds2

About 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63227343) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63227343
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCC(F)(F)F)CCCC2N
InChIInChI=1S/C12H17F3N2/c1-8-7-9-10(16)3-2-4-11(9)17(8)6-5-12(13,14)15/h7,10H,2-6,16H2,1H3
InChIKeyWQIGJDIAKHNOGO-UHFFFAOYSA-N
XLogP3.09
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63227343) is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1CCC(F)(F)F)CCCC2N.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is WQIGJDIAKHNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8-7-9-10(16)3-2-4-11(9)17(8)6-5-12(13,14)15/h7,10H,2-6,16H2,1H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 246.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63227343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).