N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine

C13H19N3O — CID 120969485

IUPACN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOC(CNC1=NCCN1C)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,15)
InChIKeyXQKWMQGLXZGXAL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.27
Rot. Bonds4

About N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969485) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969485
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC NameN-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOC(CNC1=NCCN1C)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,15)
InChIKeyXQKWMQGLXZGXAL-UHFFFAOYSA-N
XLogP1.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972982
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
CID 120972985
1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
CID 120969145
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
4-[1-hydroxy-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzene-1,2-diol
CID 171986525

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969485) is N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine is COC(CNC1=NCCN1C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XQKWMQGLXZGXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-9-8-14-13(16)15-10-12(17-2)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).