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

C14H13FINO2 — CID 66100157

IUPAC4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H13FINO2/c1-18-10-4-2-3-9(5-10)8-19-14-6-11(15)12(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyFFPKASBOTZGUNA-UHFFFAOYSA-N
MW373.17 g/mol
LogP3.60
Rot. Bonds4

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

4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline (PubChem CID 66100157) has the molecular formula C14H13FINO2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
PubChem CID66100157
Molecular FormulaC14H13FINO2
Molecular Weight373.17 g/mol
Exact Mass373.00
IUPAC Name4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H13FINO2/c1-18-10-4-2-3-9(5-10)8-19-14-6-11(15)12(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyFFPKASBOTZGUNA-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
CID 43448183
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline?
The IUPAC name of 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline (CID 66100157) is 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline is COc1cccc(COc2cc(F)c(I)cc2N)c1.
What is the InChIKey of 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline?
The InChIKey is FFPKASBOTZGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO2/c1-18-10-4-2-3-9(5-10)8-19-14-6-11(15)12(16)7-13(14)17/h2-7H,8,17H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline?
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline has a molecular weight of 373.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 66100157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).