5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline

C15H16FNO2 — CID 103201230

IUPAC5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
SMILESCOc1ccc(OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-13-5-6-15(18-2)14(17)8-13/h3-8H,9,17H2,1-2H3
InChIKeyRGQOZAWGSQUFCE-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.30
Rot. Bonds4

About 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline

5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline (PubChem CID 103201230) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
PubChem CID103201230
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
SMILESCOc1ccc(OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-13-5-6-15(18-2)14(17)8-13/h3-8H,9,17H2,1-2H3
InChIKeyRGQOZAWGSQUFCE-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.30
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

5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline (CID 103201230) is 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline is COc1ccc(OCc2cc(F)ccc2C)cc1N.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline?
The InChIKey is RGQOZAWGSQUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-13-5-6-15(18-2)14(17)8-13/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline?
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline has a molecular weight of 261.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline is sourced from PubChem (CID 103201230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).