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

C11H14N2O2 — CID 105458812

IUPAC3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccccc1CN
InChIInChI=1S/C11H14N2O2/c1-8-7-15-11(14)13(8)10-5-3-2-4-9(10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeySWZKSMFBHBNEFL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.49
Rot. Bonds2

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

3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 105458812) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID105458812
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccccc1CN
InChIInChI=1S/C11H14N2O2/c1-8-7-15-11(14)13(8)10-5-3-2-4-9(10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeySWZKSMFBHBNEFL-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
CID 105475751
4-[2-(aminomethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061098
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 117022081
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
2-[2-(aminomethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 84785427
5-[2-(aminomethyl)phenyl]-2-thia-5-azabicyclo[2.2.1]heptan-6-one
CID 84797057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 105458812) is 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SWZKSMFBHBNEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-7-15-11(14)13(8)10-5-3-2-4-9(10)6-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 105458812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).