2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine

C17H25N3O — CID 106720538

IUPAC2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O/c1-14(2)16-6-4-15(5-7-16)11-20-12-17(19-13-20)10-18-8-9-21-3/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeySIPOKMKSNBJMIH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.79
Rot. Bonds8

About 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106720538) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106720538
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O/c1-14(2)16-6-4-15(5-7-16)11-20-12-17(19-13-20)10-18-8-9-21-3/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeySIPOKMKSNBJMIH-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.79
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-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
N-[[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720607
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720587
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720417
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720449
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106720538) is 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(Cc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is SIPOKMKSNBJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(2)16-6-4-15(5-7-16)11-20-12-17(19-13-20)10-18-8-9-21-3/h4-7,12-14,18H,8-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.79, 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-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).