4-(3-chloro-2-nitrophenyl)-2-methylmorpholine

C11H13ClN2O3 — CID 104838773

IUPAC4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
SMILESCC1CN(c2cccc(Cl)c2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H13ClN2O3/c1-8-7-13(5-6-17-8)10-4-2-3-9(12)11(10)14(15)16/h2-4,8H,5-7H2,1H3
InChIKeyGJFFMSFYEZEDLV-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine

4-(3-chloro-2-nitrophenyl)-2-methylmorpholine (PubChem CID 104838773) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
PubChem CID104838773
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
SMILESCC1CN(c2cccc(Cl)c2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H13ClN2O3/c1-8-7-13(5-6-17-8)10-4-2-3-9(12)11(10)14(15)16/h2-4,8H,5-7H2,1H3
InChIKeyGJFFMSFYEZEDLV-UHFFFAOYSA-N
XLogP2.47
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.47
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 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine?
The IUPAC name of 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine (CID 104838773) is 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine.
What is the SMILES notation for 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine?
The canonical SMILES for 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine is CC1CN(c2cccc(Cl)c2[N+](=O)[O-])CCO1.
What is the InChIKey of 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine?
The InChIKey is GJFFMSFYEZEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-8-7-13(5-6-17-8)10-4-2-3-9(12)11(10)14(15)16/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine?
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine has a molecular weight of 256.69 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-nitrophenyl)-2-methylmorpholine is sourced from PubChem (CID 104838773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).