3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline

C14H13ClFNO2 — CID 103046228

IUPAC3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H13ClFNO2/c1-18-13-5-3-11(17)7-14(13)19-8-9-6-10(15)2-4-12(9)16/h2-7H,8,17H2,1H3
InChIKeyVXXLVYIOLCFAMQ-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.65
Rot. Bonds4

About 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline

3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline (PubChem CID 103046228) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline
PubChem CID103046228
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H13ClFNO2/c1-18-13-5-3-11(17)7-14(13)19-8-9-6-10(15)2-4-12(9)16/h2-7H,8,17H2,1H3
InChIKeyVXXLVYIOLCFAMQ-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 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline (CID 103046228) is 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline is COc1ccc(N)cc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline?
The InChIKey is VXXLVYIOLCFAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-18-13-5-3-11(17)7-14(13)19-8-9-6-10(15)2-4-12(9)16/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline?
3-[(5-chloro-2-fluorophenyl)methoxy]-4-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 3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 103046228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).