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

C14H17NO2S — CID 82794066

IUPAC1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2OC)cs1
InChIInChI=1S/C14H17NO2S/c1-15-8-11-7-10(9-18-11)12-5-4-6-13(16-2)14(12)17-3/h4-7,9,15H,8H2,1-3H3
InChIKeyLXNLKDUIYVTZIM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.15
Rot. Bonds5

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

1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 82794066) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID82794066
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2OC)cs1
InChIInChI=1S/C14H17NO2S/c1-15-8-11-7-10(9-18-11)12-5-4-6-13(16-2)14(12)17-3/h4-7,9,15H,8H2,1-3H3
InChIKeyLXNLKDUIYVTZIM-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 82810883
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
CID 82793495
1-[4-(3-bromo-2,4-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 103523681
1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 82795419
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 82782325
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
1-[3,4-bis(trifluoromethoxy)phenyl]-2,3-dimethoxybenzene
CID 91307892
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine (CID 82794066) is 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2cccc(OC)c2OC)cs1.
What is the InChIKey of 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is LXNLKDUIYVTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-8-11-7-10(9-18-11)12-5-4-6-13(16-2)14(12)17-3/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82794066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).