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

C14H13ClFNO2 — CID 112651662

IUPAC3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO2/c1-18-12-6-5-10(17)7-13(12)19-8-9-3-2-4-11(16)14(9)15/h2-7H,8,17H2,1H3
InChIKeyZKJIHOGWUULMFH-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.65
Rot. Bonds4

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

3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline (PubChem CID 112651662) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
PubChem CID112651662
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO2/c1-18-12-6-5-10(17)7-13(12)19-8-9-3-2-4-11(16)14(9)15/h2-7H,8,17H2,1H3
InChIKeyZKJIHOGWUULMFH-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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Related Compounds

3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
4-[(2-chloro-3-fluorophenyl)methylsulfanyl]-3-methoxyaniline
CID 112652436
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline (CID 112651662) is 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline is COc1ccc(N)cc1OCc1cccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline?
The InChIKey is ZKJIHOGWUULMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-18-12-6-5-10(17)7-13(12)19-8-9-3-2-4-11(16)14(9)15/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline?
3-[(2-chloro-3-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-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 112651662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).