1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine

C14H16BrNO2S — CID 103523681

IUPAC1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)c(Br)c2OC)cs1
InChIInChI=1S/C14H16BrNO2S/c1-16-7-10-6-9(8-19-10)11-4-5-12(17-2)13(15)14(11)18-3/h4-6,8,16H,7H2,1-3H3
InChIKeyRJVBTISGRMQUPB-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine

1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 103523681) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID103523681
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)c(Br)c2OC)cs1
InChIInChI=1S/C14H16BrNO2S/c1-16-7-10-6-9(8-19-10)11-4-5-12(17-2)13(15)14(11)18-3/h4-6,8,16H,7H2,1-3H3
InChIKeyRJVBTISGRMQUPB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 82794066
1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 82810883
1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine
CID 63888315
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
CID 82793495
N-[(4-bromothiophen-2-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681244
5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
CID 103524193
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
4-bromo-3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 82859876
5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
CID 103523707
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
CID 66097001

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine (CID 103523681) is 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(OC)c(Br)c2OC)cs1.
What is the InChIKey of 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is RJVBTISGRMQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-16-7-10-6-9(8-19-10)11-4-5-12(17-2)13(15)14(11)18-3/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 342.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103523681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).