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

C16H30F3NO — CID 63474135

IUPAC2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-5-6-13-7-9-15(10-8-13,11-20-14(2,3)4)21-12-16(17,18)19/h13,20H,5-12H2,1-4H3
InChIKeyNAFKXJAARJRUSC-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.68
Rot. Bonds6

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

2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 63474135) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID63474135
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-5-6-13-7-9-15(10-8-13,11-20-14(2,3)4)21-12-16(17,18)19/h13,20H,5-12H2,1-4H3
InChIKeyNAFKXJAARJRUSC-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 63474135) is 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is NAFKXJAARJRUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-5-6-13-7-9-15(10-8-13,11-20-14(2,3)4)21-12-16(17,18)19/h13,20H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63474135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).