2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine

C10H20F3NO — CID 62598992

IUPAC2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine
SMILESCC(C)CCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)4-3-6-15-7-5-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOCVOXQLWDSSGOK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds8

About 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine (PubChem CID 62598992) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine
PubChem CID62598992
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine
SMILESCC(C)CCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)4-3-6-15-7-5-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOCVOXQLWDSSGOK-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
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 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine (CID 62598992) is 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine is CC(C)CCCOCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine?
The InChIKey is OCVOXQLWDSSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2)4-3-6-15-7-5-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methylpentoxy)ethyl]ethanamine is sourced from PubChem (CID 62598992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).