2-(4-nitrophenyl)-4-propan-2-ylmorpholine

C13H18N2O3 — CID 3016255

IUPAC2-(4-nitrophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-7-8-18-13(9-14)11-3-5-12(6-4-11)15(16)17/h3-6,10,13H,7-9H2,1-2H3
InChIKeyIKRIJCFBDQXYMM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.38
Rot. Bonds3

About 2-(4-nitrophenyl)-4-propan-2-ylmorpholine

2-(4-nitrophenyl)-4-propan-2-ylmorpholine (PubChem CID 3016255) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-4-propan-2-ylmorpholine
PubChem CID3016255
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-nitrophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-7-8-18-13(9-14)11-3-5-12(6-4-11)15(16)17/h3-6,10,13H,7-9H2,1-2H3
InChIKeyIKRIJCFBDQXYMM-UHFFFAOYSA-N
XLogP2.38
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4-nitrophenyl)-4-propan-2-ylmorpholine (CID 3016255) is 2-(4-nitrophenyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-nitrophenyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-nitrophenyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 2-(4-nitrophenyl)-4-propan-2-ylmorpholine?
The InChIKey is IKRIJCFBDQXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)14-7-8-18-13(9-14)11-3-5-12(6-4-11)15(16)17/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2-(4-nitrophenyl)-4-propan-2-ylmorpholine?
2-(4-nitrophenyl)-4-propan-2-ylmorpholine has a molecular weight of 250.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 3016255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).