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

C14H15BrClNS — CID 81274603

IUPAC1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C14H15BrClNS/c1-2-3-12(17)14-7-6-13(18-14)10-8-9(16)4-5-11(10)15/h4-8,12H,2-3,17H2,1H3
InChIKeyQIWQIRBMJQCRIM-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.63
Rot. Bonds4

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

1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 81274603) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID81274603
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C14H15BrClNS/c1-2-3-12(17)14-7-6-13(18-14)10-8-9(16)4-5-11(10)15/h4-8,12H,2-3,17H2,1H3
InChIKeyQIWQIRBMJQCRIM-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-one
CID 81275345
1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine (CID 81274603) is 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2cc(Cl)ccc2Br)s1.
What is the InChIKey of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is QIWQIRBMJQCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-2-3-12(17)14-7-6-13(18-14)10-8-9(16)4-5-11(10)15/h4-8,12H,2-3,17H2,1H3.
What are the key properties of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine?
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 344.71 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 81274603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).