2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine

C12H26FNO3 — CID 170082902

IUPAC2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
SMILESCCCOCCOCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H26FNO3/c1-4-5-15-6-7-16-8-9-17-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3
InChIKeyDTKUOUOTGHRAFA-UHFFFAOYSA-N
MW251.34 g/mol
LogP1.52
Rot. Bonds11

About 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine

2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine (PubChem CID 170082902) has the molecular formula C12H26FNO3 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
PubChem CID170082902
Molecular FormulaC12H26FNO3
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
SMILESCCCOCCOCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H26FNO3/c1-4-5-15-6-7-16-8-9-17-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3
InChIKeyDTKUOUOTGHRAFA-UHFFFAOYSA-N
XLogP1.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine (CID 170082902) is 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine is CCCOCCOCCOC(C)(C)C(F)CN.
What is the InChIKey of 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The InChIKey is DTKUOUOTGHRAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO3/c1-4-5-15-6-7-16-8-9-17-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine is sourced from PubChem (CID 170082902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).