N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine

C14H22F3NO — CID 61492593

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
SMILESFC(F)(F)COCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22F3NO/c15-14(16,17)9-19-2-1-18-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,18H,1-9H2
InChIKeyZBYNUFSMZGGGLX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine (PubChem CID 61492593) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
PubChem CID61492593
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
SMILESFC(F)(F)COCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22F3NO/c15-14(16,17)9-19-2-1-18-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,18H,1-9H2
InChIKeyZBYNUFSMZGGGLX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine 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-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine (CID 61492593) is N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine is FC(F)(F)COCCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine?
The InChIKey is ZBYNUFSMZGGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)9-19-2-1-18-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,18H,1-9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 3.12, 5 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-trifluoroethoxy)ethyl]adamantan-1-amine is sourced from PubChem (CID 61492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).