[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine

C13H15NO2S — CID 82480620

IUPAC[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
SMILESCOc1ccc(-c2cscc2CN)cc1OC
InChIInChI=1S/C13H15NO2S/c1-15-12-4-3-9(5-13(12)16-2)11-8-17-7-10(11)6-14/h3-5,7-8H,6,14H2,1-2H3
InChIKeyWYXQHKOWQGNAJF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.89
Rot. Bonds4

About [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine

[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine (PubChem CID 82480620) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
PubChem CID82480620
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
SMILESCOc1ccc(-c2cscc2CN)cc1OC
InChIInChI=1S/C13H15NO2S/c1-15-12-4-3-9(5-13(12)16-2)11-8-17-7-10(11)6-14/h3-5,7-8H,6,14H2,1-2H3
InChIKeyWYXQHKOWQGNAJF-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
CID 82479970
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
CID 98019630
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
[4-(methoxymethyl)thiophen-3-yl]methanamine
CID 82415876
acetic acid;(4-methoxythiophen-3-yl)methanamine
CID 162342941
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine (CID 82480620) is [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine is COc1ccc(-c2cscc2CN)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine?
The InChIKey is WYXQHKOWQGNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-12-4-3-9(5-13(12)16-2)11-8-17-7-10(11)6-14/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine?
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 82480620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).