1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine

C15H18BrNO2S — CID 103524417

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H18BrNO2S/c1-17-12(8-10-6-7-20-9-10)11-4-5-13(18-2)14(16)15(11)19-3/h4-7,9,12,17H,8H2,1-3H3
InChIKeyIJRXRUVAQOEVQS-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.03
Rot. Bonds6

About 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 103524417) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID103524417
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H18BrNO2S/c1-17-12(8-10-6-7-20-9-10)11-4-5-13(18-2)14(16)15(11)19-3/h4-7,9,12,17H,8H2,1-3H3
InChIKeyIJRXRUVAQOEVQS-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 103523381
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 61079011
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
3-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]thiophene
CID 63017599
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 103524417) is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is IJRXRUVAQOEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-17-12(8-10-6-7-20-9-10)11-4-5-13(18-2)14(16)15(11)19-3/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 103524417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).