4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline

C14H13BrFNO2 — CID 65322224

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
SMILESCOc1ccc(Br)c(COc2ccc(N)cc2F)c1
InChIInChI=1S/C14H13BrFNO2/c1-18-11-3-4-12(15)9(6-11)8-19-14-5-2-10(17)7-13(14)16/h2-7H,8,17H2,1H3
InChIKeyPGWPFTBYMPHDKN-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.76
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline

4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline (PubChem CID 65322224) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
PubChem CID65322224
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
SMILESCOc1ccc(Br)c(COc2ccc(N)cc2F)c1
InChIInChI=1S/C14H13BrFNO2/c1-18-11-3-4-12(15)9(6-11)8-19-14-5-2-10(17)7-13(14)16/h2-7H,8,17H2,1H3
InChIKeyPGWPFTBYMPHDKN-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.76
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

4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-chloroaniline
CID 65322559
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330
5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 83135882
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline (CID 65322224) is 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline is COc1ccc(Br)c(COc2ccc(N)cc2F)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline?
The InChIKey is PGWPFTBYMPHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-18-11-3-4-12(15)9(6-11)8-19-14-5-2-10(17)7-13(14)16/h2-7H,8,17H2,1H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline?
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline has a molecular weight of 326.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 65322224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).