N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine

C13H17N3 — CID 106563226

IUPACN,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCNc1nc(C)cn1Cc1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-10-5-4-6-12(7-10)9-16-8-11(2)15-13(16)14-3/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyNKHMFPFFSCLRLX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds3

About N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine

N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563226) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563226
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCNc1nc(C)cn1Cc1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-10-5-4-6-12(7-10)9-16-8-11(2)15-13(16)14-3/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyNKHMFPFFSCLRLX-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
CID 106559102
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 82284713
1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106569126
1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106575525
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106570292
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106557413

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine (CID 106563226) is N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine is CNc1nc(C)cn1Cc1cccc(C)c1.
What is the InChIKey of N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is NKHMFPFFSCLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-4-6-12(7-10)9-16-8-11(2)15-13(16)14-3/h4-8H,9H2,1-3H3,(H,14,15).
What are the key properties of N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).