1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine

C14H15BrFNS — CID 43363461

IUPAC1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C14H15BrFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12H,2-3,17H2,1H3
InChIKeyVZGSAPWEOWIPBP-UHFFFAOYSA-N
MW328.25 g/mol
LogP5.12
Rot. Bonds4

About 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine

1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43363461) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID43363461
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C14H15BrFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12H,2-3,17H2,1H3
InChIKeyVZGSAPWEOWIPBP-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 81274603
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43363459
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
1-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]butan-1-amine
CID 115564753
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-one
CID 43363456
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 65491239
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378
[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81289491

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine (CID 43363461) is 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2ccc(Br)cc2F)s1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is VZGSAPWEOWIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12H,2-3,17H2,1H3.
What are the key properties of 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine?
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43363461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).