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

C15H16FNO2 — CID 105369714

IUPAC3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cc(F)ccc1C
InChIInChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-15-8-13(17)5-6-14(15)18-2/h3-8H,9,17H2,1-2H3
InChIKeyXZPZZUGUCQHVIC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.30
Rot. Bonds4

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

3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline (PubChem CID 105369714) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
PubChem CID105369714
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCc1cc(F)ccc1C
InChIInChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-15-8-13(17)5-6-14(15)18-2/h3-8H,9,17H2,1-2H3
InChIKeyXZPZZUGUCQHVIC-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-methoxyaniline
CID 103201230
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
(1R)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanol
CID 105372092
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline (CID 105369714) is 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline is COc1ccc(N)cc1OCc1cc(F)ccc1C.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline?
The InChIKey is XZPZZUGUCQHVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10-3-4-12(16)7-11(10)9-19-15-8-13(17)5-6-14(15)18-2/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline?
3-[(5-fluoro-2-methylphenyl)methoxy]-4-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 3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 105369714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).