[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine

C14H17NOS — CID 106681068

IUPAC[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1csc(CN)c1
InChIInChI=1S/C14H17NOS/c1-9-4-10(2)14(13(5-9)16-3)11-6-12(7-15)17-8-11/h4-6,8H,7,15H2,1-3H3
InChIKeyNPCZKTFOOOWWKZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.50
Rot. Bonds3

About [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine

[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine (PubChem CID 106681068) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
PubChem CID106681068
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1csc(CN)c1
InChIInChI=1S/C14H17NOS/c1-9-4-10(2)14(13(5-9)16-3)11-6-12(7-15)17-8-11/h4-6,8H,7,15H2,1-3H3
InChIKeyNPCZKTFOOOWWKZ-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine
CID 82822321
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
CID 82793495
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine (CID 106681068) is [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine is COc1cc(C)cc(C)c1-c1csc(CN)c1.
What is the InChIKey of [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine?
The InChIKey is NPCZKTFOOOWWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-4-10(2)14(13(5-9)16-3)11-6-12(7-15)17-8-11/h4-6,8H,7,15H2,1-3H3.
What are the key properties of [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine?
[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 106681068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).