4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline

C14H15ClN2O2 — CID 82891927

IUPAC4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(C)nc(COc2cc(N)ccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-5-12(18-2)7-11(17-9)8-19-14-6-10(16)3-4-13(14)15/h3-7H,8,16H2,1-2H3
InChIKeyDVRDLMNTCCGDAS-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline

4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline (PubChem CID 82891927) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
PubChem CID82891927
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(C)nc(COc2cc(N)ccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-5-12(18-2)7-11(17-9)8-19-14-6-10(16)3-4-13(14)15/h3-7H,8,16H2,1-2H3
InChIKeyDVRDLMNTCCGDAS-UHFFFAOYSA-N
XLogP3.21
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline 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-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline (CID 82891927) is 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline is COc1cc(C)nc(COc2cc(N)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
The InChIKey is DVRDLMNTCCGDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-5-12(18-2)7-11(17-9)8-19-14-6-10(16)3-4-13(14)15/h3-7H,8,16H2,1-2H3.
What are the key properties of 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline?
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline has a molecular weight of 278.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 82891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).