N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine

C13H17N3O — CID 43220295

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c1-17-9-7-14-10-12-2-4-13(5-3-12)16-8-6-15-11-16/h2-6,8,11,14H,7,9-10H2,1H3
InChIKeyVSXMNCIQZXKQIH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine

N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine (PubChem CID 43220295) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
PubChem CID43220295
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c1-17-9-7-14-10-12-2-4-13(5-3-12)16-8-6-15-11-16/h2-6,8,11,14H,7,9-10H2,1H3
InChIKeyVSXMNCIQZXKQIH-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
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-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
CID 106235358
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine (CID 43220295) is N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is VSXMNCIQZXKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-9-7-14-10-12-2-4-13(5-3-12)16-8-6-15-11-16/h2-6,8,11,14H,7,9-10H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 43220295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).