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

C16H30F3NO — CID 63474136

IUPAC2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-12(2)13-6-8-15(9-7-13,10-20-14(3,4)5)21-11-16(17,18)19/h12-13,20H,6-11H2,1-5H3
InChIKeyMYUATPHNCXUNOJ-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.54
Rot. Bonds5

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

2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 63474136) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID63474136
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-12(2)13-6-8-15(9-7-13,10-20-14(3,4)5)21-11-16(17,18)19/h12-13,20H,6-11H2,1-5H3
InChIKeyMYUATPHNCXUNOJ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.54
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-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 63474136) is 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is CC(C)C1CCC(CNC(C)(C)C)(OCC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is MYUATPHNCXUNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-12(2)13-6-8-15(9-7-13,10-20-14(3,4)5)21-11-16(17,18)19/h12-13,20H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).