(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

C11H14F3N3 — CID 68804646

IUPAC(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(C(F)(F)F)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C11H14F3N3/c1-7-4-8(11(12,13)14)5-10(16-7)17-3-2-9(15)6-17/h4-5,9H,2-3,6,15H2,1H3/t9-/m1/s1
InChIKeyLKXJWPGNKFIBSC-SECBINFHSA-N
MW245.25 g/mol
LogP1.95
Rot. Bonds1

About (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 68804646) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID68804646
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(C(F)(F)F)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C11H14F3N3/c1-7-4-8(11(12,13)14)5-10(16-7)17-3-2-9(15)6-17/h4-5,9H,2-3,6,15H2,1H3/t9-/m1/s1
InChIKeyLKXJWPGNKFIBSC-SECBINFHSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (CID 68804646) is (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is Cc1cc(C(F)(F)F)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is LKXJWPGNKFIBSC-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7-4-8(11(12,13)14)5-10(16-7)17-3-2-9(15)6-17/h4-5,9H,2-3,6,15H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 245.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 68804646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).