N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine

C15H28F3NO — CID 66277666

IUPACN-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC(C)C(F)(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-5-19-10-14(20-12(4)15(16,17)18)8-6-13(7-9-14)11(2)3/h11-13,19H,5-10H2,1-4H3
InChIKeyWYPZIWRSPTYKLV-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds6

About N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine

N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine (PubChem CID 66277666) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine
PubChem CID66277666
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC(C)C(F)(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-5-19-10-14(20-12(4)15(16,17)18)8-6-13(7-9-14)11(2)3/h11-13,19H,5-10H2,1-4H3
InChIKeyWYPZIWRSPTYKLV-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
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-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036821
1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 55036822
N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 55106482
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62108898
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62108899
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62108900
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine (CID 66277666) is N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine is CCNCC1(OC(C)C(F)(F)F)CCC(C(C)C)CC1.
What is the InChIKey of N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine?
The InChIKey is WYPZIWRSPTYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-5-19-10-14(20-12(4)15(16,17)18)8-6-13(7-9-14)11(2)3/h11-13,19H,5-10H2,1-4H3.
What are the key properties of N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine?
N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 66277666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).