4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline

C13H13ClN2O — CID 79841207

IUPAC4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2ccncc2Cl)c(C)cc1N
InChIInChI=1S/C13H13ClN2O/c1-8-6-13(9(2)5-11(8)15)17-12-3-4-16-7-10(12)14/h3-7H,15H2,1-2H3
InChIKeyLVSLHNWLGBXRBJ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.73
Rot. Bonds2

About 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline

4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline (PubChem CID 79841207) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
PubChem CID79841207
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2ccncc2Cl)c(C)cc1N
InChIInChI=1S/C13H13ClN2O/c1-8-6-13(9(2)5-11(8)15)17-12-3-4-16-7-10(12)14/h3-7H,15H2,1-2H3
InChIKeyLVSLHNWLGBXRBJ-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline
CID 65216967
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline
CID 58283709
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline (CID 79841207) is 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline is Cc1cc(Oc2ccncc2Cl)c(C)cc1N.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline?
The InChIKey is LVSLHNWLGBXRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-6-13(9(2)5-11(8)15)17-12-3-4-16-7-10(12)14/h3-7H,15H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline?
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline has a molecular weight of 248.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline is sourced from PubChem (CID 79841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).