4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine

C14H27F3N2O — CID 60855132

IUPAC4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-11(7-13(2,3)20-4)18-8-12-5-6-19(9-12)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyUGJQUEJWELYXCJ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.66
Rot. Bonds7

About 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine

4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine (PubChem CID 60855132) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine
PubChem CID60855132
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-11(7-13(2,3)20-4)18-8-12-5-6-19(9-12)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyUGJQUEJWELYXCJ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine (CID 60855132) is 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine is COC(C)(C)CC(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine?
The InChIKey is UGJQUEJWELYXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-11(7-13(2,3)20-4)18-8-12-5-6-19(9-12)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine?
4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine has a molecular weight of 296.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine is sourced from PubChem (CID 60855132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).