4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one

C12H17N3O — CID 105474443

IUPAC4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(c2cccc(CN)c2)NC1=O
InChIInChI=1S/C12H17N3O/c1-12(8-15(2)11(16)14-12)10-5-3-4-9(6-10)7-13/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyXABHBIRTGRRORG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.02
Rot. Bonds2

About 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one

4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one (PubChem CID 105474443) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
PubChem CID105474443
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(c2cccc(CN)c2)NC1=O
InChIInChI=1S/C12H17N3O/c1-12(8-15(2)11(16)14-12)10-5-3-4-9(6-10)7-13/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyXABHBIRTGRRORG-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824030
1-[[3-(aminomethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155375
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
4-[[3-(aminomethyl)phenyl]methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075711
5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
CID 105457665
6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 80578964
4-[[3-(aminomethyl)phenyl]methyl]piperazine-2,6-dione
CID 66082913
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 129139598

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one (CID 105474443) is 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one is CN1CC(C)(c2cccc(CN)c2)NC1=O.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one?
The InChIKey is XABHBIRTGRRORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(8-15(2)11(16)14-12)10-5-3-4-9(6-10)7-13/h3-6H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one?
4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 105474443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).