5-chloro-N-ethyl-2-methoxy-3-nitroaniline

C9H11ClN2O3 — CID 96709795

IUPAC5-chloro-N-ethyl-2-methoxy-3-nitroaniline
SMILESCCNc1cc(Cl)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C9H11ClN2O3/c1-3-11-7-4-6(10)5-8(12(13)14)9(7)15-2/h4-5,11H,3H2,1-2H3
InChIKeyICMDTSDLQDVPAK-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-N-ethyl-2-methoxy-3-nitroaniline

5-chloro-N-ethyl-2-methoxy-3-nitroaniline (PubChem CID 96709795) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-3-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-3-nitroaniline
PubChem CID96709795
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name5-chloro-N-ethyl-2-methoxy-3-nitroaniline
SMILESCCNc1cc(Cl)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C9H11ClN2O3/c1-3-11-7-4-6(10)5-8(12(13)14)9(7)15-2/h4-5,11H,3H2,1-2H3
InChIKeyICMDTSDLQDVPAK-UHFFFAOYSA-N
XLogP2.69
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.69
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'}

Analyze 5-chloro-N-ethyl-2-methoxy-3-nitroaniline with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
2-bromo-4-chloro-N-ethyl-6-nitroaniline
CID 134174808
5-chloro-N-ethyl-4-methyl-2-nitroaniline
CID 174646786
2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
CID 15516080
5-(4-chlorophenoxy)-N-ethyl-2-nitroaniline
CID 70521490
dimethoxy(oxo)phosphanium;N-ethyl-2-nitro-5-(2,4,6-trichlorophenoxy)aniline
CID 70465488
5-tert-butyl-2-methoxy-N-methyl-3-nitroaniline
CID 172680063
5-chloro-2-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172969753
4-chloro-2-(5-chloro-2-methoxy-3-nitrophenyl)sulfanyl-6-nitrophenol
CID 51358063
N-ethyl-5-nitro-2,4-dipropoxyaniline
CID 96710244
4-[(3-chlorophenoxy)methyl]-N-ethyl-2-nitroaniline
CID 63486020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-3-nitroaniline?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-3-nitroaniline (CID 96709795) is 5-chloro-N-ethyl-2-methoxy-3-nitroaniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-3-nitroaniline?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-3-nitroaniline is CCNc1cc(Cl)cc([N+](=O)[O-])c1OC.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-3-nitroaniline?
The InChIKey is ICMDTSDLQDVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-3-11-7-4-6(10)5-8(12(13)14)9(7)15-2/h4-5,11H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-3-nitroaniline?
5-chloro-N-ethyl-2-methoxy-3-nitroaniline has a molecular weight of 230.65 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-3-nitroaniline is sourced from PubChem (CID 96709795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).