2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

C15H17Br2NOS — CID 115817250

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1sccc1Br
InChIInChI=1S/C15H17Br2NOS/c1-3-18-13(15-12(17)6-7-20-15)9-10-8-11(16)4-5-14(10)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyQNWQZYMSOMDJDZ-UHFFFAOYSA-N
MW419.18 g/mol
LogP5.18
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (PubChem CID 115817250) has the molecular formula C15H17Br2NOS and a molecular weight of 419.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
PubChem CID115817250
Molecular FormulaC15H17Br2NOS
Molecular Weight419.18 g/mol
Exact Mass416.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1sccc1Br
InChIInChI=1S/C15H17Br2NOS/c1-3-18-13(15-12(17)6-7-20-15)9-10-8-11(16)4-5-14(10)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyQNWQZYMSOMDJDZ-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.18
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (CID 115817250) is 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1OC)c1sccc1Br.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The InChIKey is QNWQZYMSOMDJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NOS/c1-3-18-13(15-12(17)6-7-20-15)9-10-8-11(16)4-5-14(10)19-2/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine has a molecular weight of 419.18 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115817250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).