2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine

C11H18F3N3O — CID 102969739

IUPAC2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)10(15)9-5-16-7-17(9)3-4-18-6-11(12,13)14/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyFSRFNJLKYCDYGY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds6

About 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 102969739) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID102969739
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)10(15)9-5-16-7-17(9)3-4-18-6-11(12,13)14/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyFSRFNJLKYCDYGY-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine (CID 102969739) is 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is FSRFNJLKYCDYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(2)10(15)9-5-16-7-17(9)3-4-18-6-11(12,13)14/h5,7-8,10H,3-4,6,15H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).