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

C14H22F3NO — CID 55032056

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine
SMILESFC(F)(F)COCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-19-2-1-18-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13,18H,1-8H2
InChIKeyXQVNASAENMMCQM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.98
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine (PubChem CID 55032056) 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-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine
PubChem CID55032056
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine
SMILESFC(F)(F)COCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-19-2-1-18-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13,18H,1-8H2
InChIKeyXQVNASAENMMCQM-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5457481
CID 3715788
N-[3-(2,2,2-trifluoroethoxy)propyl]adamantan-1-amine
CID 61491189
N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
CID 61492593
1-(1-adamantyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63488580
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63827135
2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63828711
2,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63995124
N-[2-(trifluoromethoxy)ethyl]adamantan-1-amine
CID 65803407
1-(1-adamantyl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804037
2,4-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65806256
N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78884697
3,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-1-amine
CID 79997677

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine (CID 55032056) is N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine is FC(F)(F)COCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine?
The InChIKey is XQVNASAENMMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)8-19-2-1-18-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13,18H,1-8H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]adamantan-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.98, 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-2-amine is sourced from PubChem (CID 55032056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).