4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one

C11H13ClN2O2 — CID 79469209

IUPAC4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
SMILESNc1ccc(CN2CCOCC2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-5-9(13)2-1-8(10)6-14-3-4-16-7-11(14)15/h1-2,5H,3-4,6-7,13H2
InChIKeyJLHPWABARRLSLC-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.28
Rot. Bonds2

About 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one

4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one (PubChem CID 79469209) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
PubChem CID79469209
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
SMILESNc1ccc(CN2CCOCC2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-5-9(13)2-1-8(10)6-14-3-4-16-7-11(14)15/h1-2,5H,3-4,6-7,13H2
InChIKeyJLHPWABARRLSLC-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one?
The IUPAC name of 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one (CID 79469209) is 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one is Nc1ccc(CN2CCOCC2=O)c(Cl)c1.
What is the InChIKey of 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one?
The InChIKey is JLHPWABARRLSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-5-9(13)2-1-8(10)6-14-3-4-16-7-11(14)15/h1-2,5H,3-4,6-7,13H2.
What are the key properties of 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one?
4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one has a molecular weight of 240.69 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 79469209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).