1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine

C14H23F2NO — CID 82005059

IUPAC1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNC(COCC(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2NO/c15-13(16)8-18-7-12(17)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-13H,1-8,17H2
InChIKeyNZISWGKGLFASLU-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine

1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 82005059) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine
PubChem CID82005059
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNC(COCC(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2NO/c15-13(16)8-18-7-12(17)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-13H,1-8,17H2
InChIKeyNZISWGKGLFASLU-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-2-(2,2-difluoroethoxy)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 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine (CID 82005059) is 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine is NC(COCC(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is NZISWGKGLFASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-13(16)8-18-7-12(17)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-13H,1-8,17H2.
What are the key properties of 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine?
1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 259.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 82005059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).