1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine

C14H15BrClNS — CID 43288278

IUPAC1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-3-17-9(2)13-6-7-14(18-13)11-5-4-10(15)8-12(11)16/h4-9,17H,3H2,1-2H3
InChIKeyHCPUVVYLKZXUCE-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.50
Rot. Bonds4

About 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine

1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine (PubChem CID 43288278) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
PubChem CID43288278
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-3-17-9(2)13-6-7-14(18-13)11-5-4-10(15)8-12(11)16/h4-9,17H,3H2,1-2H3
InChIKeyHCPUVVYLKZXUCE-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine
CID 81287781
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine (CID 43288278) is 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(Br)cc2Cl)s1.
What is the InChIKey of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine?
The InChIKey is HCPUVVYLKZXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-3-17-9(2)13-6-7-14(18-13)11-5-4-10(15)8-12(11)16/h4-9,17H,3H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine?
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.50, 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-chlorophenyl)thiophen-2-yl]-N-ethylethanamine is sourced from PubChem (CID 43288278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).