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

C14H19N3 — CID 42818947

IUPACN-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-15-10-14-16-7-8-17(14)11-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyWMPAPRJGOKKWED-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.35
Rot. Bonds5

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

N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 42818947) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID42818947
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-15-10-14-16-7-8-17(14)11-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyWMPAPRJGOKKWED-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
N-[[2-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196023
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62737831
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine (CID 42818947) is N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1cccc(C)c1.
What is the InChIKey of N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is WMPAPRJGOKKWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-15-10-14-16-7-8-17(14)11-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 42818947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).