1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine

C15H19NS — CID 81156786

IUPAC1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2sc(C)cc2C)cc1
InChIInChI=1S/C15H19NS/c1-10-4-6-13(7-5-10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9,16H2,1-3H3
InChIKeyQTNCKNIUQCDGHF-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.92
Rot. Bonds3

About 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine

1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 81156786) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
PubChem CID81156786
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2sc(C)cc2C)cc1
InChIInChI=1S/C15H19NS/c1-10-4-6-13(7-5-10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9,16H2,1-3H3
InChIKeyQTNCKNIUQCDGHF-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155733
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155881
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine (CID 81156786) is 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2sc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is QTNCKNIUQCDGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-4-6-13(7-5-10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine?
1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).