N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H20F3NO — CID 63681624

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CC2CCC1C2
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-17-4-3-16-7-11-6-9-1-2-10(11)5-9/h9-11,16H,1-8H2
InChIKeyCWEMZKKKOAWMRK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.59
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63681624) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63681624
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CC2CCC1C2
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-17-4-3-16-7-11-6-9-1-2-10(11)5-9/h9-11,16H,1-8H2
InChIKeyCWEMZKKKOAWMRK-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63681624) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CWEMZKKKOAWMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)8-17-4-3-16-7-11-6-9-1-2-10(11)5-9/h9-11,16H,1-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63681624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).