N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine

C15H19F2N3O — CID 116790158

IUPACN-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H19F2N3O/c1-21-10-8-18-11-14-19-7-9-20(14)12-15(16,17)13-5-3-2-4-6-13/h2-7,9,18H,8,10-12H2,1H3
InChIKeyAENKSGPFADCCID-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.41
Rot. Bonds8

About N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 116790158) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID116790158
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H19F2N3O/c1-21-10-8-18-11-14-19-7-9-20(14)12-15(16,17)13-5-3-2-4-6-13/h2-7,9,18H,8,10-12H2,1H3
InChIKeyAENKSGPFADCCID-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.41
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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Related Compounds

2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 66402094
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 66401699
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine (CID 116790158) is N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nccn1CC(F)(F)c1ccccc1.
What is the InChIKey of N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is AENKSGPFADCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-21-10-8-18-11-14-19-7-9-20(14)12-15(16,17)13-5-3-2-4-6-13/h2-7,9,18H,8,10-12H2,1H3.
What are the key properties of N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 295.33 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 116790158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).