4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline

C14H13ClFNO2 — CID 103037678

IUPAC4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-18-14-7-10(17)3-5-13(14)19-8-9-2-4-12(16)11(15)6-9/h2-7H,8,17H2,1H3
InChIKeyPXLNKDHWSCEXKC-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.65
Rot. Bonds4

About 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline

4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline (PubChem CID 103037678) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline
PubChem CID103037678
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-18-14-7-10(17)3-5-13(14)19-8-9-2-4-12(16)11(15)6-9/h2-7H,8,17H2,1H3
InChIKeyPXLNKDHWSCEXKC-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline (CID 103037678) is 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline is COc1cc(N)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline?
The InChIKey is PXLNKDHWSCEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-18-14-7-10(17)3-5-13(14)19-8-9-2-4-12(16)11(15)6-9/h2-7H,8,17H2,1H3.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline?
4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline has a molecular weight of 281.71 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyaniline is sourced from PubChem (CID 103037678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).