2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine

C16H23N3O2 — CID 106720444

IUPAC2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCCOc2ccccc2)cn1
InChIInChI=1S/C16H23N3O2/c1-20-11-8-17-12-15-13-19(14-18-15)9-5-10-21-16-6-3-2-4-7-16/h2-4,6-7,13-14,17H,5,8-12H2,1H3
InChIKeyBJJFRYRXGKGRAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds10

About 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106720444) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106720444
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCCOc2ccccc2)cn1
InChIInChI=1S/C16H23N3O2/c1-20-11-8-17-12-15-13-19(14-18-15)9-5-10-21-16-6-3-2-4-7-16/h2-4,6-7,13-14,17H,5,8-12H2,1H3
InChIKeyBJJFRYRXGKGRAM-UHFFFAOYSA-N
XLogP2.09
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
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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Related Compounds

2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542
methyl 4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanoate
CID 106720528
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 106720576
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine (CID 106720444) is 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCCOc2ccccc2)cn1.
What is the InChIKey of 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is BJJFRYRXGKGRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-20-11-8-17-12-15-13-19(14-18-15)9-5-10-21-16-6-3-2-4-7-16/h2-4,6-7,13-14,17H,5,8-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.09, 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-phenoxypropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).