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

C15H21N3O — CID 106563262

IUPACN-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-13-5-3-6-14(11-13)12-18-9-8-17-15(18)16-7-4-10-19-2/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,16,17)
InChIKeyMZCNFDQNBLMIFA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds7

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

N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563262) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563262
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-13-5-3-6-14(11-13)12-18-9-8-17-15(18)16-7-4-10-19-2/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,16,17)
InChIKeyMZCNFDQNBLMIFA-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
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

1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
CID 106569430
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine (CID 106563262) is N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine is COCCCNc1nccn1Cc1cccc(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is MZCNFDQNBLMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-5-3-6-14(11-13)12-18-9-8-17-15(18)16-7-4-10-19-2/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).