1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine

C15H18BrNS — CID 81287781

IUPAC1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine
SMILESCCc1cc(Br)ccc1-c1ccc(C(C)NC)s1
InChIInChI=1S/C15H18BrNS/c1-4-11-9-12(16)5-6-13(11)15-8-7-14(18-15)10(2)17-3/h5-10,17H,4H2,1-3H3
InChIKeyKYUIZNDJTZMXDQ-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.02
Rot. Bonds4

About 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine

1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine (PubChem CID 81287781) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine
PubChem CID81287781
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine
SMILESCCc1cc(Br)ccc1-c1ccc(C(C)NC)s1
InChIInChI=1S/C15H18BrNS/c1-4-11-9-12(16)5-6-13(11)15-8-7-14(18-15)10(2)17-3/h5-10,17H,4H2,1-3H3
InChIKeyKYUIZNDJTZMXDQ-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81289491
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271
N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-2-yl]ethanamine
CID 62810581
1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 63400441
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 61335935
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
(1R)-N-methyl-1-(5-thiophen-2-ylthiophen-2-yl)ethanamine
CID 96704192
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine (CID 81287781) is 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine is CCc1cc(Br)ccc1-c1ccc(C(C)NC)s1.
What is the InChIKey of 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine?
The InChIKey is KYUIZNDJTZMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-4-11-9-12(16)5-6-13(11)15-8-7-14(18-15)10(2)17-3/h5-10,17H,4H2,1-3H3.
What are the key properties of 1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine?
1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine has a molecular weight of 324.29 g/mol, XLogP of 5.02, 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-ethylphenyl)thiophen-2-yl]-N-methylethanamine is sourced from PubChem (CID 81287781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).