3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine

C12H26FNO2 — CID 170082907

IUPAC3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine
SMILESCCCCOCCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H26FNO2/c1-4-5-7-15-8-6-9-16-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3
InChIKeyRYIXRGVJDWGGIB-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.29
Rot. Bonds10

About 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine

3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine (PubChem CID 170082907) has the molecular formula C12H26FNO2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine
PubChem CID170082907
Molecular FormulaC12H26FNO2
Molecular Weight235.34 g/mol
Exact Mass235.19
IUPAC Name3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine
SMILESCCCCOCCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H26FNO2/c1-4-5-7-15-8-6-9-16-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3
InChIKeyRYIXRGVJDWGGIB-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine (CID 170082907) is 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine is CCCCOCCCOC(C)(C)C(F)CN.
What is the InChIKey of 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is RYIXRGVJDWGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO2/c1-4-5-7-15-8-6-9-16-12(2,3)11(13)10-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine?
3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 235.34 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropoxy)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 170082907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).