4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine

C12H25F3N2O — CID 155183422

IUPAC4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
SMILESCC(C)NCCOCCC(C)NCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)16-7-9-18-8-4-11(3)17-6-5-12(13,14)15/h10-11,16-17H,4-9H2,1-3H3
InChIKeyFRDVFFSLJPTRQL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.32
Rot. Bonds10

About 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine

4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine (PubChem CID 155183422) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
PubChem CID155183422
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
SMILESCC(C)NCCOCCC(C)NCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)16-7-9-18-8-4-11(3)17-6-5-12(13,14)15/h10-11,16-17H,4-9H2,1-3H3
InChIKeyFRDVFFSLJPTRQL-UHFFFAOYSA-N
XLogP2.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
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 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine?
The IUPAC name of 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine (CID 155183422) is 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine.
What is the SMILES notation for 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine?
The canonical SMILES for 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine is CC(C)NCCOCCC(C)NCCC(F)(F)F.
What is the InChIKey of 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine?
The InChIKey is FRDVFFSLJPTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(2)16-7-9-18-8-4-11(3)17-6-5-12(13,14)15/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine?
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine is sourced from PubChem (CID 155183422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).