1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine

C14H16BrNO2S — CID 116810436

IUPAC1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cs1)c1c(OC)cccc1OC
InChIInChI=1S/C14H16BrNO2S/c1-16-14(12-7-9(15)8-19-12)13-10(17-2)5-4-6-11(13)18-3/h4-8,14,16H,1-3H3
InChIKeyNHLUODMYVFZRQV-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine

1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 116810436) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
PubChem CID116810436
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cs1)c1c(OC)cccc1OC
InChIInChI=1S/C14H16BrNO2S/c1-16-14(12-7-9(15)8-19-12)13-10(17-2)5-4-6-11(13)18-3/h4-8,14,16H,1-3H3
InChIKeyNHLUODMYVFZRQV-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
N-[(4-bromothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807404
1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
N-[(4-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 82770851
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine (CID 116810436) is 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine is CNC(c1cc(Br)cs1)c1c(OC)cccc1OC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is NHLUODMYVFZRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-16-14(12-7-9(15)8-19-12)13-10(17-2)5-4-6-11(13)18-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 342.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116810436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).