2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

C14H16BrNS — CID 65105091

IUPAC2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1csc(C)c1
InChIInChI=1S/C14H16BrNS/c1-10-7-12(9-17-10)14(16-2)8-11-5-3-4-6-13(11)15/h3-7,9,14,16H,8H2,1-2H3
InChIKeyOAFGCJMFKPNRCQ-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 65105091) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID65105091
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1csc(C)c1
InChIInChI=1S/C14H16BrNS/c1-10-7-12(9-17-10)14(16-2)8-11-5-3-4-6-13(11)15/h3-7,9,14,16H,8H2,1-2H3
InChIKeyOAFGCJMFKPNRCQ-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-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991463
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (CID 65105091) is 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is CNC(Cc1ccccc1Br)c1csc(C)c1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is OAFGCJMFKPNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-7-12(9-17-10)14(16-2)8-11-5-3-4-6-13(11)15/h3-7,9,14,16H,8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)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-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 65105091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).