N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine

C14H19N3 — CID 82559024

IUPACN-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1-c1ccccc1C
InChIInChI=1S/C14H19N3/c1-12-6-3-4-7-13(12)14-16-9-11-17(14)10-5-8-15-2/h3-4,6-7,9,11,15H,5,8,10H2,1-2H3
InChIKeyPZECBHHMLJXNFI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.47
Rot. Bonds5

About N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine

N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine (PubChem CID 82559024) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
PubChem CID82559024
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1-c1ccccc1C
InChIInChI=1S/C14H19N3/c1-12-6-3-4-7-13(12)14-16-9-11-17(14)10-5-8-15-2/h3-4,6-7,9,11,15H,5,8,10H2,1-2H3
InChIKeyPZECBHHMLJXNFI-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.47
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

1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
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CID 82559740
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
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N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
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3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
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3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
CID 82558328
N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine
CID 82559211
4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
2-[2-[3-(2-methylphenyl)phenyl]imidazol-1-yl]ethanol
CID 56740009

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine (CID 82559024) is N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine is CNCCCn1ccnc1-c1ccccc1C.
What is the InChIKey of N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine?
The InChIKey is PZECBHHMLJXNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-6-3-4-7-13(12)14-16-9-11-17(14)10-5-8-15-2/h3-4,6-7,9,11,15H,5,8,10H2,1-2H3.
What are the key properties of N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine?
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82559024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).