1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine

C11H22F3NO2 — CID 62320759

IUPAC1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCNC(CCCOCC(F)(F)F)COC
InChIInChI=1S/C11H22F3NO2/c1-3-6-15-10(8-16-2)5-4-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyZLQIYJSTCDURIH-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds10

About 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine

1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 62320759) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID62320759
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCNC(CCCOCC(F)(F)F)COC
InChIInChI=1S/C11H22F3NO2/c1-3-6-15-10(8-16-2)5-4-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyZLQIYJSTCDURIH-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
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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Related Compounds

N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
1-propoxy-N-propylheptan-4-amine
CID 79568616
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 103148773
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 62320759) is 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine is CCCNC(CCCOCC(F)(F)F)COC.
What is the InChIKey of 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is ZLQIYJSTCDURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-6-15-10(8-16-2)5-4-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 62320759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).