2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine

C13H14BrNS — CID 60818795

IUPAC2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1cccs1
InChIInChI=1S/C13H14BrNS/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9H2,1H3
InChIKeyVPHKNIAQKWBQOW-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine

2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 60818795) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
PubChem CID60818795
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1cccs1
InChIInChI=1S/C13H14BrNS/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9H2,1H3
InChIKeyVPHKNIAQKWBQOW-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 113471238
2-(2-bromophenyl)-1-thiophen-2-ylethanol
CID 60798008
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine (CID 60818795) is 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine is CNC(Cc1ccccc1Br)c1cccs1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is VPHKNIAQKWBQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine?
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60818795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).