5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline

C11H9BrFNOS — CID 66110973

IUPAC5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
SMILESNc1cc(Br)c(F)cc1OCc1cccs1
InChIInChI=1S/C11H9BrFNOS/c12-8-4-10(14)11(5-9(8)13)15-6-7-2-1-3-16-7/h1-5H,6,14H2
InChIKeyZHANJAQAGDIFGN-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.81
Rot. Bonds3

About 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline

5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline (PubChem CID 66110973) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
PubChem CID66110973
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
SMILESNc1cc(Br)c(F)cc1OCc1cccs1
InChIInChI=1S/C11H9BrFNOS/c12-8-4-10(14)11(5-9(8)13)15-6-7-2-1-3-16-7/h1-5H,6,14H2
InChIKeyZHANJAQAGDIFGN-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.81
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-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
2-(1,3-benzodioxol-5-ylmethoxy)-5-bromo-4-fluoroaniline
CID 66111745
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999
6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one
CID 115425967
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 62911577
3-fluoro-5-(thiophen-2-ylmethoxy)aniline
CID 80751724
3-(difluoromethyl)-4-(thiophen-2-ylmethoxy)aniline
CID 63734131
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline (CID 66110973) is 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline is Nc1cc(Br)c(F)cc1OCc1cccs1.
What is the InChIKey of 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The InChIKey is ZHANJAQAGDIFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c12-8-4-10(14)11(5-9(8)13)15-6-7-2-1-3-16-7/h1-5H,6,14H2.
What are the key properties of 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline?
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline has a molecular weight of 302.17 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline is sourced from PubChem (CID 66110973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).