6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one

C14H19ClN2O2 — CID 115068104

IUPAC6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3
InChIKeyMRHASJPYAWCELC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.81
Rot. Bonds4

About 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one

6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one (PubChem CID 115068104) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
PubChem CID115068104
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3
InChIKeyMRHASJPYAWCELC-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one (CID 115068104) is 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one is CC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1.
What is the InChIKey of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The InChIKey is MRHASJPYAWCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3.
What are the key properties of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one has a molecular weight of 282.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 115068104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).