3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

C11H15ClN2O2 — CID 134690747

IUPAC3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.NCc1ccc(N2CCCOC2=O)cc1
InChIInChI=1S/C11H14N2O2.ClH/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14;/h2-5H,1,6-8,12H2;1H
InChIKeyUEUMCDIHLQNGNT-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.91
Rot. Bonds2

About 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (PubChem CID 134690747) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
PubChem CID134690747
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.NCc1ccc(N2CCCOC2=O)cc1
InChIInChI=1S/C11H14N2O2.ClH/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14;/h2-5H,1,6-8,12H2;1H
InChIKeyUEUMCDIHLQNGNT-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (CID 134690747) is 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is Cl.NCc1ccc(N2CCCOC2=O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is UEUMCDIHLQNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14;/h2-5H,1,6-8,12H2;1H.
What are the key properties of 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 134690747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).