4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline

C14H13F2NO2 — CID 105402158

IUPAC4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO2/c1-18-14-7-12(17)2-3-13(14)19-8-9-4-10(15)6-11(16)5-9/h2-7H,8,17H2,1H3
InChIKeySHEPQFNXVWAXHD-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.13
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline

4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline (PubChem CID 105402158) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
PubChem CID105402158
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO2/c1-18-14-7-12(17)2-3-13(14)19-8-9-4-10(15)6-11(16)5-9/h2-7H,8,17H2,1H3
InChIKeySHEPQFNXVWAXHD-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.13
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-methoxy-4-phenylmethoxyaniline
CID 27226
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
3-[(2,4-difluorophenoxy)methyl]-5-fluoroaniline
CID 112646416
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline?
The IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline (CID 105402158) is 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline?
The canonical SMILES for 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline is COc1cc(N)ccc1OCc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline?
The InChIKey is SHEPQFNXVWAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-14-7-12(17)2-3-13(14)19-8-9-4-10(15)6-11(16)5-9/h2-7H,8,17H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline?
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline has a molecular weight of 265.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline is sourced from PubChem (CID 105402158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).