1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine

C14H19N3 — CID 117331105

IUPAC1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCN1CCN=C1c1ccccc1C1(N)CCC1
InChIInChI=1S/C14H19N3/c1-17-10-9-16-13(17)11-5-2-3-6-12(11)14(15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyMYBRJIHDJRCXEY-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.72
Rot. Bonds2

About 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine

1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 117331105) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine
PubChem CID117331105
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCN1CCN=C1c1ccccc1C1(N)CCC1
InChIInChI=1S/C14H19N3/c1-17-10-9-16-13(17)11-5-2-3-6-12(11)14(15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyMYBRJIHDJRCXEY-UHFFFAOYSA-N
XLogP1.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117362672
3-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]propanal
CID 117308217
4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117355369
1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117399449
2-(2-butan-2-ylphenyl)-1-methyl-4,5-dihydroimidazole
CID 144582436
1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine
CID 115028406
spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one
CID 56957582
1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
CID 117436494
1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
1-[2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]phenyl]cyclobutan-1-amine
CID 173043378
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
CID 117112884
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine (CID 117331105) is 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine is CN1CCN=C1c1ccccc1C1(N)CCC1.
What is the InChIKey of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is MYBRJIHDJRCXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-10-9-16-13(17)11-5-2-3-6-12(11)14(15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine?
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117331105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).