N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

C14H26F3NO — CID 62111258

IUPACN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)(OCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-3-5-12-6-8-13(9-7-12,10-18-4-2)19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyVBQKQQTWPJUODQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (PubChem CID 62111258) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
PubChem CID62111258
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)(OCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-3-5-12-6-8-13(9-7-12,10-18-4-2)19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyVBQKQQTWPJUODQ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (CID 62111258) is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is VBQKQQTWPJUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-12-6-8-13(9-7-12,10-18-4-2)19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62111258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).