1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C15H24F3NO — CID 66275214

IUPAC1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)C12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-9(15(16,17)18)20-8-13(19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8,19H2,1H3
InChIKeyAGHJHVXJQQLWGF-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.50
Rot. Bonds4

About 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275214) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275214
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)C12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-9(15(16,17)18)20-8-13(19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8,19H2,1H3
InChIKeyAGHJHVXJQQLWGF-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-Pentadecafluoro-1-adamantyl)oxy]propan-2-amine
CID 87307109
1-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-Pentadecafluoro-1-adamantyl)oxy]butan-2-amine
CID 87307412
1-(1-Adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785317
1-(1-adamantyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756103
1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63474496
1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274783
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-ethylethanamine
CID 82003946
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-methylethanamine
CID 82004959
1-(1-Adamantyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82005059
N-[1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 82006053
1-(1-Adamantyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82782797
1-(1-Adamantyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82954065

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275214) is 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OCC(N)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.
What is the InChIKey of 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is AGHJHVXJQQLWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-9(15(16,17)18)20-8-13(19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8,19H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 291.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).