1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine

C15H19NS — CID 43287906

IUPAC1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H19NS/c1-10-5-6-13(9-11(10)2)15-8-7-14(17-15)12(3)16-4/h5-9,12,16H,1-4H3
InChIKeyJQTWWMYSHJUXJH-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.31
Rot. Bonds3

About 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine

1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine (PubChem CID 43287906) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine
PubChem CID43287906
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H19NS/c1-10-5-6-13(9-11(10)2)15-8-7-14(17-15)12(3)16-4/h5-9,12,16H,1-4H3
InChIKeyJQTWWMYSHJUXJH-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-phenylthiophen-2-yl)ethanamine
CID 43288011
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 65437979
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 82540472
N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-2-yl]ethanamine
CID 62810581
(1R)-N-methyl-1-(5-thiophen-2-ylthiophen-2-yl)ethanamine
CID 96704192
N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine
CID 114251064
1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 61033915
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine (CID 43287906) is 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(C)c(C)c2)s1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine?
The InChIKey is JQTWWMYSHJUXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-5-6-13(9-11(10)2)15-8-7-14(17-15)12(3)16-4/h5-9,12,16H,1-4H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine?
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine is sourced from PubChem (CID 43287906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).