2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine

C14H16BrNS — CID 62600319

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccc(C)cc1
InChIInChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)13(16-2)9-14-12(15)7-8-17-14/h3-8,13,16H,9H2,1-2H3
InChIKeyIUPWBHZRWZHZPA-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 62600319) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID62600319
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccc(C)cc1
InChIInChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)13(16-2)9-14-12(15)7-8-17-14/h3-8,13,16H,9H2,1-2H3
InChIKeyIUPWBHZRWZHZPA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070
[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105139402
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 62600319) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(Cc1sccc1Br)c1ccc(C)cc1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is IUPWBHZRWZHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)13(16-2)9-14-12(15)7-8-17-14/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62600319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).