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

C15H26F3NO — CID 62724767

IUPACN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-11(2)19-9-14(5-6-20-10-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3
InChIKeyMDQYIPBAEVXSTD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds7

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

N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 62724767) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID62724767
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-11(2)19-9-14(5-6-20-10-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3
InChIKeyMDQYIPBAEVXSTD-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 62724767) is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)NCC1(CCOCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is MDQYIPBAEVXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11(2)19-9-14(5-6-20-10-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3.
What are the key properties of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 62724767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).