3-bromo-4-fluoro-N-propylaniline

C9H11BrFN — CID 104776158

IUPAC3-bromo-4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFN/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5H2,1H3
InChIKeyRKFRYCHMIGYFSR-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-4-fluoro-N-propylaniline

3-bromo-4-fluoro-N-propylaniline (PubChem CID 104776158) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-propylaniline
PubChem CID104776158
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name3-bromo-4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFN/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5H2,1H3
InChIKeyRKFRYCHMIGYFSR-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
3-bromo-4-iodo-N-propylaniline
CID 130499837
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
3-bromo-N-[(E)-but-2-enyl]-4-fluoroaniline
CID 107899240
N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
CID 104778142
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)aniline
CID 107900308
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
2-fluoro-4-(propylamino)phenol
CID 64780527

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-propylaniline?
The IUPAC name of 3-bromo-4-fluoro-N-propylaniline (CID 104776158) is 3-bromo-4-fluoro-N-propylaniline.
What is the SMILES notation for 3-bromo-4-fluoro-N-propylaniline?
The canonical SMILES for 3-bromo-4-fluoro-N-propylaniline is CCCNc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-propylaniline?
The InChIKey is RKFRYCHMIGYFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-propylaniline?
3-bromo-4-fluoro-N-propylaniline has a molecular weight of 232.10 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-propylaniline is sourced from PubChem (CID 104776158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).