(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

C15H19F3N2 — CID 144718927

IUPAC(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@@]2(N)C1
InChIInChI=1S/C15H19F3N2/c1-20-8-11-6-10(7-14(11,19)9-20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11H,6-9,19H2,1H3/t10?,11-,14-/m1/s1
InChIKeyHUOPQMNUBRMOES-MDLDFJCZSA-N
MW284.32 g/mol
LogP2.84
Rot. Bonds1

About (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (PubChem CID 144718927) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
PubChem CID144718927
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@@]2(N)C1
InChIInChI=1S/C15H19F3N2/c1-20-8-11-6-10(7-14(11,19)9-20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11H,6-9,19H2,1H3/t10?,11-,14-/m1/s1
InChIKeyHUOPQMNUBRMOES-MDLDFJCZSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The IUPAC name of (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (CID 144718927) is (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.
What is the SMILES notation for (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The canonical SMILES for (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is CN1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@@]2(N)C1.
What is the InChIKey of (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The InChIKey is HUOPQMNUBRMOES-MDLDFJCZSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-20-8-11-6-10(7-14(11,19)9-20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11H,6-9,19H2,1H3/t10?,11-,14-/m1/s1.
What are the key properties of (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine has a molecular weight of 284.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is sourced from PubChem (CID 144718927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).