[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C13H24F3NO — CID 81011186

IUPAC[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-10-4-5-12(8-17)11(7-10)3-2-6-18-9-13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyXDDFHSHMOLDPKI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds6

About [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81011186) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81011186
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-10-4-5-12(8-17)11(7-10)3-2-6-18-9-13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyXDDFHSHMOLDPKI-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81011186) is [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CC1CCC(CN)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is XDDFHSHMOLDPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10-4-5-12(8-17)11(7-10)3-2-6-18-9-13(14,15)16/h10-12H,2-9,17H2,1H3.
What are the key properties of [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).