4-fluoro-5-iodo-2-(3-methylbutoxy)aniline

C11H15FINO — CID 66100154

IUPAC4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
SMILESCC(C)CCOc1cc(F)c(I)cc1N
InChIInChI=1S/C11H15FINO/c1-7(2)3-4-15-11-5-8(12)9(13)6-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeyKIMUYVOZJKNJIR-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.44
Rot. Bonds4

About 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline

4-fluoro-5-iodo-2-(3-methylbutoxy)aniline (PubChem CID 66100154) has the molecular formula C11H15FINO and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
PubChem CID66100154
Molecular FormulaC11H15FINO
Molecular Weight323.15 g/mol
Exact Mass323.02
IUPAC Name4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
SMILESCC(C)CCOc1cc(F)c(I)cc1N
InChIInChI=1S/C11H15FINO/c1-7(2)3-4-15-11-5-8(12)9(13)6-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeyKIMUYVOZJKNJIR-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
CID 66100153
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
5-iodo-2-(3-methylbutoxy)aniline
CID 66080957
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
5-ethyl-2-(3-methylbutoxy)aniline
CID 54853197
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
3-amino-4-(3-methylbutoxy)benzaldehyde
CID 82057087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline (CID 66100154) is 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline is CC(C)CCOc1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline?
The InChIKey is KIMUYVOZJKNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO/c1-7(2)3-4-15-11-5-8(12)9(13)6-10(11)14/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline?
4-fluoro-5-iodo-2-(3-methylbutoxy)aniline has a molecular weight of 323.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(3-methylbutoxy)aniline is sourced from PubChem (CID 66100154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).