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

C11H14N2O2 — CID 105458788

IUPAC4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(c2cccc(CN)c2)COC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-11(7-15-10(14)13-11)9-4-2-3-8(5-9)6-12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyJUCJIACYMVNUAJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.10
Rot. Bonds2

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

4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 105458788) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID105458788
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(c2cccc(CN)c2)COC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-11(7-15-10(14)13-11)9-4-2-3-8(5-9)6-12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyJUCJIACYMVNUAJ-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
CID 105474443
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
CID 105477023
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
CID 105477275
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 95866457
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 132524616
4-[[3-(aminomethyl)phenyl]methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075711
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
CID 67413959
5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
CID 105474478

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 105458788) is 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is CC1(c2cccc(CN)c2)COC(=O)N1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is JUCJIACYMVNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(7-15-10(14)13-11)9-4-2-3-8(5-9)6-12/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 105458788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).