6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one

C13H18N2O3 — CID 115060343

IUPAC6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
SMILESNCCC1CN(Cc2cccc(O)c2)C(=O)CO1
InChIInChI=1S/C13H18N2O3/c14-5-4-12-8-15(13(17)9-18-12)7-10-2-1-3-11(16)6-10/h1-3,6,12,16H,4-5,7-9,14H2
InChIKeyIVJKVQQWLUOEBD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds4

About 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one

6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one (PubChem CID 115060343) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
PubChem CID115060343
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
SMILESNCCC1CN(Cc2cccc(O)c2)C(=O)CO1
InChIInChI=1S/C13H18N2O3/c14-5-4-12-8-15(13(17)9-18-12)7-10-2-1-3-11(16)6-10/h1-3,6,12,16H,4-5,7-9,14H2
InChIKeyIVJKVQQWLUOEBD-UHFFFAOYSA-N
XLogP0.47
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The IUPAC name of 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one (CID 115060343) is 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one is NCCC1CN(Cc2cccc(O)c2)C(=O)CO1.
What is the InChIKey of 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The InChIKey is IVJKVQQWLUOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-5-4-12-8-15(13(17)9-18-12)7-10-2-1-3-11(16)6-10/h1-3,6,12,16H,4-5,7-9,14H2.
What are the key properties of 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 115060343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).