1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C14H15Br2NS — CID 43486882

IUPAC1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NS/c1-9-3-5-10(6-4-9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3
InChIKeySHUGAVHWNSLHTB-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.08
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 43486882) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID43486882
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NS/c1-9-3-5-10(6-4-9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3
InChIKeySHUGAVHWNSLHTB-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-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493168
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 107967940
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107968485
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 43486882) is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is SHUGAVHWNSLHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-9-3-5-10(6-4-9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine 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-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43486882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).