1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

C12H24F3NO2 — CID 62318357

IUPAC1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(CCCCOCC(F)(F)F)COC
InChIInChI=1S/C12H24F3NO2/c1-3-7-16-11(9-17-2)6-4-5-8-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyMTCIIGOTXJRAJE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds11

About 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 62318357) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID62318357
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(CCCCOCC(F)(F)F)COC
InChIInChI=1S/C12H24F3NO2/c1-3-7-16-11(9-17-2)6-4-5-8-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyMTCIIGOTXJRAJE-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
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 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 62318357) is 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is CCCNC(CCCCOCC(F)(F)F)COC.
What is the InChIKey of 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is MTCIIGOTXJRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-3-7-16-11(9-17-2)6-4-5-8-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 271.32 g/mol, XLogP of 2.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 62318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).