[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

C14H17N3O — CID 116882734

IUPAC[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCc1cccc(-c2cnc(C3(CN)COC3)[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-11(5-10)12-6-16-13(17-12)14(7-15)8-18-9-14/h2-6H,7-9,15H2,1H3,(H,16,17)
InChIKeyUTEWCJJGXVVGHT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.61
Rot. Bonds3

About [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (PubChem CID 116882734) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
PubChem CID116882734
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCc1cccc(-c2cnc(C3(CN)COC3)[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-11(5-10)12-6-16-13(17-12)14(7-15)8-18-9-14/h2-6H,7-9,15H2,1H3,(H,16,17)
InChIKeyUTEWCJJGXVVGHT-UHFFFAOYSA-N
XLogP1.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
[3-(5-phenyl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882707
[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882740
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683
[3-(5-pyridin-2-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882738
3,5-dimethyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrazole
CID 18971151
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882103

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (CID 116882734) is [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is Cc1cccc(-c2cnc(C3(CN)COC3)[nH]2)c1.
What is the InChIKey of [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The InChIKey is UTEWCJJGXVVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-2-4-11(5-10)12-6-16-13(17-12)14(7-15)8-18-9-14/h2-6H,7-9,15H2,1H3,(H,16,17).
What are the key properties of [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116882734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).