N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine

C16H23N3 — CID 62350576

IUPACN-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cnc(C)c2C)cc1C
InChIInChI=1S/C16H23N3/c1-5-8-17-10-15-6-7-16(9-12(15)2)19-11-18-13(3)14(19)4/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyVZRFISRNUFMCGW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine

N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine (PubChem CID 62350576) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
PubChem CID62350576
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cnc(C)c2C)cc1C
InChIInChI=1S/C16H23N3/c1-5-8-17-10-15-6-7-16(9-12(15)2)19-11-18-13(3)14(19)4/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyVZRFISRNUFMCGW-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
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-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 114854519
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62351659
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62441973
N-[[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 62135677
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170436
N-[[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62930040
1-[4-[3-methyl-4-(propylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 62135343
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 63633408
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134182

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine (CID 62350576) is N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(-n2cnc(C)c2C)cc1C.
What is the InChIKey of N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine?
The InChIKey is VZRFISRNUFMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-8-17-10-15-6-7-16(9-12(15)2)19-11-18-13(3)14(19)4/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine?
N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 62350576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).