N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine

C13H17N3 — CID 43213832

IUPACN-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H17N3/c1-2-7-14-10-12-3-5-13(6-4-12)16-9-8-15-11-16/h3-6,8-9,11,14H,2,7,10H2,1H3
InChIKeyUEYABLNJXCFRKL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 43213832) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
PubChem CID43213832
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H17N3/c1-2-7-14-10-12-3-5-13(6-4-12)16-9-8-15-11-16/h3-6,8-9,11,14H,2,7,10H2,1H3
InChIKeyUEYABLNJXCFRKL-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]octan-1-amine
CID 78911236
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine (CID 43213832) is N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is UEYABLNJXCFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-7-14-10-12-3-5-13(6-4-12)16-9-8-15-11-16/h3-6,8-9,11,14H,2,7,10H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43213832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).