2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine

C13H24F3NO — CID 62598330

IUPAC2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CC(OCCNCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C13H24F3NO/c1-10-6-11(8-12(2,3)7-10)18-5-4-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyPBXBKKRWZIBJIS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine

2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine (PubChem CID 62598330) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
PubChem CID62598330
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CC(OCCNCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C13H24F3NO/c1-10-6-11(8-12(2,3)7-10)18-5-4-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyPBXBKKRWZIBJIS-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
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

3,3,3-Trifluoro-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 43752957
4,4,4-Trifluoro-3-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 43753331
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036636
N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 55088631
N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 55093431
4,4,4-Trifluoro-3-(3,3,5-trimethylcyclohexyl)oxybutan-2-amine
CID 61647892
1,1,1-Trifluoro-2-(3,3,5-trimethylcyclohexyl)oxypentan-3-amine
CID 61647893
N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110278
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110439
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110440
2-methyl-N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110610
2,2,2-trifluoro-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566542

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine (CID 62598330) is 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine is CC1CC(OCCNCC(F)(F)F)CC(C)(C)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine?
The InChIKey is PBXBKKRWZIBJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10-6-11(8-12(2,3)7-10)18-5-4-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine is sourced from PubChem (CID 62598330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).