N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C15H26F3NO — CID 62723557

IUPACN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-2-6-19-10-14(5-7-20-11-15(16,17)18)9-12-3-4-13(14)8-12/h12-13,19H,2-11H2,1H3
InChIKeyYSTBVVCXVURZSK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds8

About N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 62723557) 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-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID62723557
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-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO/c1-2-6-19-10-14(5-7-20-11-15(16,17)18)9-12-3-4-13(14)8-12/h12-13,19H,2-11H2,1H3
InChIKeyYSTBVVCXVURZSK-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-1-amine?
The IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 62723557) is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CCCNCC1(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-1-amine?
The InChIKey is YSTBVVCXVURZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-6-19-10-14(5-7-20-11-15(16,17)18)9-12-3-4-13(14)8-12/h12-13,19H,2-11H2,1H3.
What are the key properties of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 8 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-1-amine is sourced from PubChem (CID 62723557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).