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

C12H15ClN2O3 — CID 104838831

IUPAC4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
SMILESCCC1COCCN1c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O3/c1-2-9-8-18-7-6-14(9)11-5-3-4-10(13)12(11)15(16)17/h3-5,9H,2,6-8H2,1H3
InChIKeyGAVJFSBAIVLFRT-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.86
Rot. Bonds3

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

4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine (PubChem CID 104838831) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
PubChem CID104838831
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
SMILESCCC1COCCN1c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O3/c1-2-9-8-18-7-6-14(9)11-5-3-4-10(13)12(11)15(16)17/h3-5,9H,2,6-8H2,1H3
InChIKeyGAVJFSBAIVLFRT-UHFFFAOYSA-N
XLogP2.86
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.86
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'}

Analyze 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine?
The IUPAC name of 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine (CID 104838831) is 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine?
The canonical SMILES for 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine is CCC1COCCN1c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine?
The InChIKey is GAVJFSBAIVLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-9-8-18-7-6-14(9)11-5-3-4-10(13)12(11)15(16)17/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine?
4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine has a molecular weight of 270.72 g/mol, XLogP of 2.86, 3 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)-3-ethylmorpholine is sourced from PubChem (CID 104838831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).