N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine

C13H24F3NO — CID 66274644

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17-10-12(8-6-4-5-7-9-12)18-11(2)13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyHMOUQEOKAVTSPP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine (PubChem CID 66274644) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
PubChem CID66274644
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17-10-12(8-6-4-5-7-9-12)18-11(2)13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyHMOUQEOKAVTSPP-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129276996
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
2-Cycloheptyl-2-fluoromorpholine
CID 175482466
2-(1-Fluorocycloheptyl)morpholine
CID 175482467
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
N-ethyl-2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
CID 61755897
N-propyl-2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
CID 61756704
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
CID 62109244

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine (CID 66274644) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine is CCNCC1(OC(C)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine?
The InChIKey is HMOUQEOKAVTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-10-12(8-6-4-5-7-9-12)18-11(2)13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 66274644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).