(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H18N2O2 — CID 577562

IUPAC(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyIKSBDRQBCCVQBT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds1

About (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 577562) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID577562
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyIKSBDRQBCCVQBT-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
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-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 577562) is (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(N)cc2)CC(C)O1.
What is the InChIKey of (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is IKSBDRQBCCVQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8,14H2,1-2H3.
What are the key properties of (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 577562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).