2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

C14H15Br2NS — CID 63797423

IUPAC2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-3-5-11(15)6-4-10/h3-8,13,17H,2,9H2,1H3
InChIKeyALQRZPRDZVBJCT-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (PubChem CID 63797423) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
PubChem CID63797423
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-3-5-11(15)6-4-10/h3-8,13,17H,2,9H2,1H3
InChIKeyALQRZPRDZVBJCT-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (CID 63797423) is 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1)c1sccc1Br.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The InChIKey is ALQRZPRDZVBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-3-5-11(15)6-4-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63797423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).