2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine

C15H21N3O — CID 66403057

IUPAC2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1CCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-19-12-9-16-13-15-17-8-11-18(15)10-7-14-5-3-2-4-6-14/h2-6,8,11,16H,7,9-10,12-13H2,1H3
InChIKeyOOHWMDVWFHQLBH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.86
Rot. Bonds8

About 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 66403057) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID66403057
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1CCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-19-12-9-16-13-15-17-8-11-18(15)10-7-14-5-3-2-4-6-14/h2-6,8,11,16H,7,9-10,12-13H2,1H3
InChIKeyOOHWMDVWFHQLBH-UHFFFAOYSA-N
XLogP1.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.86
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

N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 116790158
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 66402094
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine (CID 66403057) is 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine is COCCNCc1nccn1CCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is OOHWMDVWFHQLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-12-9-16-13-15-17-8-11-18(15)10-7-14-5-3-2-4-6-14/h2-6,8,11,16H,7,9-10,12-13H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66403057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).