5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline

C15H15ClFNO3 — CID 58022022

IUPAC5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1cc(Cl)cc(COc2ccc(F)c(N)c2)c1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-14-6-10(16)5-9(15(14)20-2)8-21-11-3-4-12(17)13(18)7-11/h3-7H,8,18H2,1-2H3
InChIKeyLBKYPNKIJUYUIS-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.66
Rot. Bonds5

About 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline

5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline (PubChem CID 58022022) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline.

Molecular Properties

Compound Name5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline
PubChem CID58022022
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1cc(Cl)cc(COc2ccc(F)c(N)c2)c1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-14-6-10(16)5-9(15(14)20-2)8-21-11-3-4-12(17)13(18)7-11/h3-7H,8,18H2,1-2H3
InChIKeyLBKYPNKIJUYUIS-UHFFFAOYSA-N
XLogP3.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline?
The IUPAC name of 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline (CID 58022022) is 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline.
What is the SMILES notation for 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline?
The canonical SMILES for 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline is COc1cc(Cl)cc(COc2ccc(F)c(N)c2)c1OC.
What is the InChIKey of 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline?
The InChIKey is LBKYPNKIJUYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-19-14-6-10(16)5-9(15(14)20-2)8-21-11-3-4-12(17)13(18)7-11/h3-7H,8,18H2,1-2H3.
What are the key properties of 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline?
5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline has a molecular weight of 311.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,3-dimethoxyphenyl)methoxy]-2-fluoroaniline is sourced from PubChem (CID 58022022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).