2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine

C15H21F3N2 — CID 106211530

IUPAC2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1(C(F)(F)F)CC1)CC(C)(C)CC2N
InChIInChI=1S/C15H21F3N2/c1-9-6-10-11(19)7-13(2,3)8-12(10)20(9)14(4-5-14)15(16,17)18/h6,11H,4-5,7-8,19H2,1-3H3
InChIKeyQSCHUGJKRRYKRN-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.82
Rot. Bonds1

About 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 106211530) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID106211530
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1(C(F)(F)F)CC1)CC(C)(C)CC2N
InChIInChI=1S/C15H21F3N2/c1-9-6-10-11(19)7-13(2,3)8-12(10)20(9)14(4-5-14)15(16,17)18/h6,11H,4-5,7-8,19H2,1-3H3
InChIKeyQSCHUGJKRRYKRN-UHFFFAOYSA-N
XLogP3.82
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine (CID 106211530) is 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1C1(C(F)(F)F)CC1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is QSCHUGJKRRYKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-9-6-10-11(19)7-13(2,3)8-12(10)20(9)14(4-5-14)15(16,17)18/h6,11H,4-5,7-8,19H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[1-(trifluoromethyl)cyclopropyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106211530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).