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

C15H28F3NO — CID 62111422

IUPACN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-5-13-6-8-14(9-7-13,10-19-12(2)3)20-11-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyGBFHPTTXOSFJQH-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds7

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

N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 62111422) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID62111422
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-5-13-6-8-14(9-7-13,10-19-12(2)3)20-11-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyGBFHPTTXOSFJQH-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 54961803
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Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 62111422) is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is GBFHPTTXOSFJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-5-13-6-8-14(9-7-13,10-19-12(2)3)20-11-15(16,17)18/h12-13,19H,4-11H2,1-3H3.
What are the key properties of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 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]propan-2-amine is sourced from PubChem (CID 62111422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).