2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline

C13H13ClN2O2 — CID 63992724

IUPAC2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O2/c1-17-13-4-2-3-9(16-13)8-18-10-5-6-12(15)11(14)7-10/h2-7H,8,15H2,1H3
InChIKeyCYAJNEQLQTZYSM-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline

2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline (PubChem CID 63992724) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
PubChem CID63992724
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O2/c1-17-13-4-2-3-9(16-13)8-18-10-5-6-12(15)11(14)7-10/h2-7H,8,15H2,1H3
InChIKeyCYAJNEQLQTZYSM-UHFFFAOYSA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
CID 156504997
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83137702
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
2-chloro-4-(4-methoxybutoxy)aniline
CID 104646773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline?
The IUPAC name of 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline (CID 63992724) is 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline is COc1cccc(COc2ccc(N)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline?
The InChIKey is CYAJNEQLQTZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-13-4-2-3-9(16-13)8-18-10-5-6-12(15)11(14)7-10/h2-7H,8,15H2,1H3.
What are the key properties of 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline?
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline has a molecular weight of 264.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 63992724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).