(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine

C13H23F3N2O — CID 154681393

IUPAC(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@H](N)[C@H](COC2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C13H23F3N2O/c1-8-6-11(17)12(18-8)7-19-10-4-2-9(3-5-10)13(14,15)16/h8-12,18H,2-7,17H2,1H3/t8-,9?,10?,11+,12+/m1/s1
InChIKeyZVJMPCOGOFZBAG-AMFGXWJMSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds3

About (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine

(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine (PubChem CID 154681393) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine
PubChem CID154681393
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@H](N)[C@H](COC2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C13H23F3N2O/c1-8-6-11(17)12(18-8)7-19-10-4-2-9(3-5-10)13(14,15)16/h8-12,18H,2-7,17H2,1H3/t8-,9?,10?,11+,12+/m1/s1
InChIKeyZVJMPCOGOFZBAG-AMFGXWJMSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine?
The IUPAC name of (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine (CID 154681393) is (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine.
What is the SMILES notation for (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine?
The canonical SMILES for (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine is C[C@@H]1C[C@H](N)[C@H](COC2CCC(C(F)(F)F)CC2)N1.
What is the InChIKey of (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine?
The InChIKey is ZVJMPCOGOFZBAG-AMFGXWJMSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8-6-11(17)12(18-8)7-19-10-4-2-9(3-5-10)13(14,15)16/h8-12,18H,2-7,17H2,1H3/t8-,9?,10?,11+,12+/m1/s1.
What are the key properties of (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine?
(2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-methyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]pyrrolidin-3-amine is sourced from PubChem (CID 154681393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).