2-methyl-6-[(4-nitrophenyl)methyl]morpholine

C12H16N2O3 — CID 82291579

IUPAC2-methyl-6-[(4-nitrophenyl)methyl]morpholine
SMILESCC1CNCC(Cc2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13-8-12(17-9)6-10-2-4-11(5-3-10)14(15)16/h2-5,9,12-13H,6-8H2,1H3
InChIKeyAMKNKCZMZIOQDG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-6-[(4-nitrophenyl)methyl]morpholine

2-methyl-6-[(4-nitrophenyl)methyl]morpholine (PubChem CID 82291579) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-6-[(4-nitrophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[(4-nitrophenyl)methyl]morpholine
PubChem CID82291579
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methyl-6-[(4-nitrophenyl)methyl]morpholine
SMILESCC1CNCC(Cc2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13-8-12(17-9)6-10-2-4-11(5-3-10)14(15)16/h2-5,9,12-13H,6-8H2,1H3
InChIKeyAMKNKCZMZIOQDG-UHFFFAOYSA-N
XLogP1.51
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
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-methyl-6-[(4-nitrophenyl)methyl]morpholine?
The IUPAC name of 2-methyl-6-[(4-nitrophenyl)methyl]morpholine (CID 82291579) is 2-methyl-6-[(4-nitrophenyl)methyl]morpholine.
What is the SMILES notation for 2-methyl-6-[(4-nitrophenyl)methyl]morpholine?
The canonical SMILES for 2-methyl-6-[(4-nitrophenyl)methyl]morpholine is CC1CNCC(Cc2ccc([N+](=O)[O-])cc2)O1.
What is the InChIKey of 2-methyl-6-[(4-nitrophenyl)methyl]morpholine?
The InChIKey is AMKNKCZMZIOQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-7-13-8-12(17-9)6-10-2-4-11(5-3-10)14(15)16/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 2-methyl-6-[(4-nitrophenyl)methyl]morpholine?
2-methyl-6-[(4-nitrophenyl)methyl]morpholine has a molecular weight of 236.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-nitrophenyl)methyl]morpholine is sourced from PubChem (CID 82291579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).