4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine

C10H20F3NO2 — CID 64605668

IUPAC4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
SMILESCOCCC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(4-7-15-2)14-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyIQUTVWGJFYZAGC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds9

About 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine

4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine (PubChem CID 64605668) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
PubChem CID64605668
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
SMILESCOCCC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(4-7-15-2)14-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyIQUTVWGJFYZAGC-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
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 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine (CID 64605668) is 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine is COCCC(C)NCCCOCC(F)(F)F.
What is the InChIKey of 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The InChIKey is IQUTVWGJFYZAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(4-7-15-2)14-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine is sourced from PubChem (CID 64605668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).