4-(5-chloro-2-nitrophenoxy)-N-methylaniline

C13H11ClN2O3 — CID 115471949

IUPAC4-(5-chloro-2-nitrophenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O3/c1-15-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)16(17)18/h2-8,15H,1H3
InChIKeyJQDRBMWQDXUVSA-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.08
Rot. Bonds4

About 4-(5-chloro-2-nitrophenoxy)-N-methylaniline

4-(5-chloro-2-nitrophenoxy)-N-methylaniline (PubChem CID 115471949) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-(5-chloro-2-nitrophenoxy)-N-methylaniline.

Molecular Properties

Compound Name4-(5-chloro-2-nitrophenoxy)-N-methylaniline
PubChem CID115471949
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-(5-chloro-2-nitrophenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O3/c1-15-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)16(17)18/h2-8,15H,1H3
InChIKeyJQDRBMWQDXUVSA-UHFFFAOYSA-N
XLogP4.08
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.08
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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Related Compounds

3-[4-(methylamino)phenoxy]-4-nitrobenzamide
CID 82992355
(1S)-1-[4-(5-chloro-2-nitrophenoxy)phenyl]ethanol
CID 63374746
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
1-[4-(5-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62303997
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
CID 102703875
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102
3-(5-chloro-2-nitrophenoxy)aniline
CID 113316446
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-nitrophenoxy)-N-methylaniline?
The IUPAC name of 4-(5-chloro-2-nitrophenoxy)-N-methylaniline (CID 115471949) is 4-(5-chloro-2-nitrophenoxy)-N-methylaniline.
What is the SMILES notation for 4-(5-chloro-2-nitrophenoxy)-N-methylaniline?
The canonical SMILES for 4-(5-chloro-2-nitrophenoxy)-N-methylaniline is CNc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(5-chloro-2-nitrophenoxy)-N-methylaniline?
The InChIKey is JQDRBMWQDXUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-15-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)16(17)18/h2-8,15H,1H3.
What are the key properties of 4-(5-chloro-2-nitrophenoxy)-N-methylaniline?
4-(5-chloro-2-nitrophenoxy)-N-methylaniline has a molecular weight of 278.70 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-nitrophenoxy)-N-methylaniline is sourced from PubChem (CID 115471949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).