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

C16H26F3NO — CID 66274783

IUPAC1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26F3NO/c1-10(16(17,18)19)21-9-14(20-2)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14,20H,3-9H2,1-2H3
InChIKeyTWFZSDLKJUMATI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.76
Rot. Bonds5

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

1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66274783) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66274783
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26F3NO/c1-10(16(17,18)19)21-9-14(20-2)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14,20H,3-9H2,1-2H3
InChIKeyTWFZSDLKJUMATI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66274783) is 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CNC(COC(C)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is TWFZSDLKJUMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-10(16(17,18)19)21-9-14(20-2)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14,20H,3-9H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 305.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66274783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).