1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C12H22F3NO — CID 113448676

IUPAC1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3NO/c1-9(12(13,14)15)17-8-11(16-2)10-6-4-3-5-7-10/h9-11,16H,3-8H2,1-2H3
InChIKeyFLUMTANFYFHRRQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 113448676) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID113448676
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3NO/c1-9(12(13,14)15)17-8-11(16-2)10-6-4-3-5-7-10/h9-11,16H,3-8H2,1-2H3
InChIKeyFLUMTANFYFHRRQ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 113448676) is 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CNC(COC(C)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is FLUMTANFYFHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(12(13,14)15)17-8-11(16-2)10-6-4-3-5-7-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 113448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).