1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine

C14H15Br2NS — CID 115840991

IUPAC1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccc(C)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-9-3-5-11(12(15)7-9)13(17-2)8-10-4-6-14(16)18-10/h3-7,13,17H,8H2,1-2H3
InChIKeyQHSRHMNBKRUYDB-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.08
Rot. Bonds4

About 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine

1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 115840991) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
PubChem CID115840991
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccc(C)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-9-3-5-11(12(15)7-9)13(17-2)8-10-4-6-14(16)18-10/h3-7,13,17H,8H2,1-2H3
InChIKeyQHSRHMNBKRUYDB-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 55095213
2-(5-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115841386
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine (CID 115840991) is 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is QHSRHMNBKRUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-9-3-5-11(12(15)7-9)13(17-2)8-10-4-6-14(16)18-10/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115840991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).