2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone

C14H20N2O2 — CID 124694893

IUPAC2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1COC[C@H](C)N1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-10-8-18-9-11(2)16(10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9,15H2,1-2H3/t10-,11-/m0/s1
InChIKeyBSSUGXCJBXNJKO-QWRGUYRKSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds2

About 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone

2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone (PubChem CID 124694893) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
PubChem CID124694893
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1COC[C@H](C)N1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-10-8-18-9-11(2)16(10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9,15H2,1-2H3/t10-,11-/m0/s1
InChIKeyBSSUGXCJBXNJKO-QWRGUYRKSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone (CID 124694893) is 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone is C[C@H]1COC[C@H](C)N1C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone?
The InChIKey is BSSUGXCJBXNJKO-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-18-9-11(2)16(10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9,15H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone?
2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 124694893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).