2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine

C12H20F3N3O2 — CID 66402094

IUPAC2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-19-8-4-16-9-11-17-3-6-18(11)5-2-7-20-10-12(13,14)15/h3,6,16H,2,4-5,7-10H2,1H3
InChIKeyYZZDXKVFBPORKM-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.59
Rot. Bonds10

About 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66402094) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66402094
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-19-8-4-16-9-11-17-3-6-18(11)5-2-7-20-10-12(13,14)15/h3,6,16H,2,4-5,7-10H2,1H3
InChIKeyYZZDXKVFBPORKM-UHFFFAOYSA-N
XLogP1.59
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine (CID 66402094) is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine is COCCNCc1nccn1CCCOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is YZZDXKVFBPORKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-19-8-4-16-9-11-17-3-6-18(11)5-2-7-20-10-12(13,14)15/h3,6,16H,2,4-5,7-10H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 295.31 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).