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

C16H28F3NO — CID 62725563

IUPAC2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C16H28F3NO/c1-12(2)9-20-10-15(5-6-21-11-16(17,18)19)8-13-3-4-14(15)7-13/h12-14,20H,3-11H2,1-2H3
InChIKeyZKPYGVARPMORHM-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.01
Rot. Bonds8

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

2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 62725563) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID62725563
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C16H28F3NO/c1-12(2)9-20-10-15(5-6-21-11-16(17,18)19)8-13-3-4-14(15)7-13/h12-14,20H,3-11H2,1-2H3
InChIKeyZKPYGVARPMORHM-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.01
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 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 62725563) is 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CC(C)CNCC1(CCOCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is ZKPYGVARPMORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-12(2)9-20-10-15(5-6-21-11-16(17,18)19)8-13-3-4-14(15)7-13/h12-14,20H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.01, 8 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-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 62725563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).