2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine

C10H16F3N3O — CID 79964947

IUPAC2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C10H16F3N3O/c1-17-5-4-14-6-8-7-15-9(16-8)2-3-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyNSORWQXKCKGFEE-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.64
Rot. Bonds7

About 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 79964947) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID79964947
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C10H16F3N3O/c1-17-5-4-14-6-8-7-15-9(16-8)2-3-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyNSORWQXKCKGFEE-UHFFFAOYSA-N
XLogP1.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.64
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 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 79964947) is 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine is COCCNCc1cnc(CCC(F)(F)F)[nH]1.
What is the InChIKey of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is NSORWQXKCKGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-17-5-4-14-6-8-7-15-9(16-8)2-3-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).