N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine

C13H26F3NO2 — CID 169934486

IUPACN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCCCOCCOCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-4-5-7-18-9-10-19-8-6-17-12(11(2)3)13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyZMAVGALEZSPJIV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.30
Rot. Bonds11

About N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine

N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 169934486) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID169934486
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCCCOCCOCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-4-5-7-18-9-10-19-8-6-17-12(11(2)3)13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyZMAVGALEZSPJIV-UHFFFAOYSA-N
XLogP3.30
TPSA30.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine (CID 169934486) is N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine is CCCCOCCOCCNC(C(C)C)C(F)(F)F.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is ZMAVGALEZSPJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-4-5-7-18-9-10-19-8-6-17-12(11(2)3)13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine?
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 169934486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).