2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline

C15H16FNO3 — CID 43332349

IUPAC2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
SMILESCOc1ccc(OCc2ccc(OC)c(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO3/c1-18-11-4-6-15(13(17)8-11)20-9-10-3-5-14(19-2)12(16)7-10/h3-8H,9,17H2,1-2H3
InChIKeyPCPJWDTZJMYMOJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.00
Rot. Bonds5

About 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline

2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline (PubChem CID 43332349) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
PubChem CID43332349
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
SMILESCOc1ccc(OCc2ccc(OC)c(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO3/c1-18-11-4-6-15(13(17)8-11)20-9-10-3-5-14(19-2)12(16)7-10/h3-8H,9,17H2,1-2H3
InChIKeyPCPJWDTZJMYMOJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline (CID 43332349) is 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline is COc1ccc(OCc2ccc(OC)c(F)c2)c(N)c1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline?
The InChIKey is PCPJWDTZJMYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-11-4-6-15(13(17)8-11)20-9-10-3-5-14(19-2)12(16)7-10/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline?
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline has a molecular weight of 277.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline is sourced from PubChem (CID 43332349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).