1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine

C₁₃H₁₉N₃O₃ — CID 115315864

About 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine

1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine (PubChem CID 115315864) has the molecular formula C₁₃H₁₉N₃O₃ and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine.

Molecular Properties

• Compound Name: 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
• PubChem CID: 115315864
• Molecular Formula: C₁₃H₁₉N₃O₃
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.14
• IUPAC Name: 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
• SMILES: Cc1ccc(N2CCOC(C(C)N)C2)c([N+](=O)[O-])c1
• InChI: InChI=1S/C13H19N3O3/c1-9-3-4-11(12(7-9)16(17)18)15-5-6-19-13(8-15)10(2)14/h3-4,7,10,13H,5-6,8,14H2,1-2H3
• InChIKey: CXJUNUFJGOKCPC-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 81.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?

The IUPAC name of 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine (CID 115315864) is 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine.

What is the SMILES notation for 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?

The canonical SMILES for 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine is Cc1ccc(N2CCOC(C(C)N)C2)c([N+](=O)[O-])c1.

What is the InChIKey of 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?

The InChIKey is CXJUNUFJGOKCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-3-4-11(12(7-9)16(17)18)15-5-6-19-13(8-15)10(2)14/h3-4,7,10,13H,5-6,8,14H2,1-2H3.

What are the key properties of 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?

1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115315864 — identifiers, structure, computed properties (public domain)

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