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

C14H21N3O — CID 120972441

IUPACN-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCOC(CNC1=NCCN1C)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-3-18-13(12-7-5-4-6-8-12)11-16-14-15-9-10-17(14)2/h4-8,13H,3,9-11H2,1-2H3,(H,15,16)
InChIKeyAMXYLUMMTBRNRM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds5

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

N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120972441) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120972441
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCOC(CNC1=NCCN1C)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-3-18-13(12-7-5-4-6-8-12)11-16-14-15-9-10-17(14)2/h4-8,13H,3,9-11H2,1-2H3,(H,15,16)
InChIKeyAMXYLUMMTBRNRM-UHFFFAOYSA-N
XLogP1.66
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
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
CID 120969485
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-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972982
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
CID 120969145
1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
CID 120972985
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
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 120972441) is N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine is CCOC(CNC1=NCCN1C)c1ccccc1.
What is the InChIKey of N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is AMXYLUMMTBRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-18-13(12-7-5-4-6-8-12)11-16-14-15-9-10-17(14)2/h4-8,13H,3,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 247.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).