1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

C11H12BrNOS2 — CID 105010987

IUPAC1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cs1)c1cscc1Br
InChIInChI=1S/C11H12BrNOS2/c1-13-11(8-5-15-6-9(8)12)10-3-7(14-2)4-16-10/h3-6,11,13H,1-2H3
InChIKeyIZIDSPMSJVFWTO-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 105010987) has the molecular formula C11H12BrNOS2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID105010987
Molecular FormulaC11H12BrNOS2
Molecular Weight318.26 g/mol
Exact Mass316.95
IUPAC Name1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cs1)c1cscc1Br
InChIInChI=1S/C11H12BrNOS2/c1-13-11(8-5-15-6-9(8)12)10-3-7(14-2)4-16-10/h3-6,11,13H,1-2H3
InChIKeyIZIDSPMSJVFWTO-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121867
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 105010857
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
CID 105057182
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
1-(4-bromothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105010884

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (CID 105010987) is 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1cc(OC)cs1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is IZIDSPMSJVFWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-13-11(8-5-15-6-9(8)12)10-3-7(14-2)4-16-10/h3-6,11,13H,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 318.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105010987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).