2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C13H24F3NO — CID 64728847

IUPAC2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CC(C)CC(OC(C)CNCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9-4-10(2)6-12(5-9)18-11(3)7-17-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyXWTIVQOWZRKPIN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds5

About 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 64728847) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID64728847
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CC(C)CC(OC(C)CNCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9-4-10(2)6-12(5-9)18-11(3)7-17-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyXWTIVQOWZRKPIN-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

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Related Compounds

3,3,3-Trifluoro-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 43752957
3,3,3-Trifluoro-2-(3-methylcyclohexyl)oxypropan-1-amine
CID 43752965
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
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
N,4-dimethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754904
N-ethyl-4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755696
4-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756702
N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110278
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110439

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 64728847) is 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC1CC(C)CC(OC(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is XWTIVQOWZRKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9-4-10(2)6-12(5-9)18-11(3)7-17-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine 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-(3,5-dimethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 64728847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).