1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C16H26F3NO — CID 63474496

IUPAC1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26F3NO/c1-2-20-14(9-21-10-16(17,18)19)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,20H,2-10H2,1H3
InChIKeyFJEWSSKEYIRLPQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.76
Rot. Bonds6

About 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63474496) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63474496
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26F3NO/c1-2-20-14(9-21-10-16(17,18)19)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,20H,2-10H2,1H3
InChIKeyFJEWSSKEYIRLPQ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

2-(1-Adamantyl)-2-(neopentylamino)ethanol
CID 2882868
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-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63488580
1-(1-adamantyl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804037
1-(1-adamantyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274783
1-(1-Adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275214
3,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
CID 79997677
3,5-dimethyl-N-[2-(trifluoromethoxy)ethyl]adamantan-1-amine
CID 80000327
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63474496) is 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is FJEWSSKEYIRLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-2-20-14(9-21-10-16(17,18)19)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,20H,2-10H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 305.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63474496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).