2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C15H26F3NO — CID 106705987

IUPAC2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)7-11-4-5-12(14)6-11/h11-12,19H,4-10H2,1-3H3
InChIKeyYHALYEPHWSKSIA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds5

About 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 106705987) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID106705987
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)7-11-4-5-12(14)6-11/h11-12,19H,4-10H2,1-3H3
InChIKeyYHALYEPHWSKSIA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 106705987) is 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)(C)NCC1(COCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is YHALYEPHWSKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)7-11-4-5-12(14)6-11/h11-12,19H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 106705987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).