2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline

C15H15ClFNO3 — CID 59310084

IUPAC2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(F)cc1COc1cc(N)c(Cl)cc1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-13-4-3-10(17)5-9(13)8-21-15-7-12(18)11(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3
InChIKeyBNIMMEHQWPUFEI-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline

2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline (PubChem CID 59310084) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline
PubChem CID59310084
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(F)cc1COc1cc(N)c(Cl)cc1OC
InChIInChI=1S/C15H15ClFNO3/c1-19-13-4-3-10(17)5-9(13)8-21-15-7-12(18)11(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3
InChIKeyBNIMMEHQWPUFEI-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 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline (CID 59310084) is 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline is COc1ccc(F)cc1COc1cc(N)c(Cl)cc1OC.
What is the InChIKey of 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline?
The InChIKey is BNIMMEHQWPUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-19-13-4-3-10(17)5-9(13)8-21-15-7-12(18)11(16)6-14(15)20-2/h3-7H,8,18H2,1-2H3.
What are the key properties of 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline?
2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline 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 2-chloro-5-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 59310084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).