2-(4-methylphenyl)-1-thiophen-2-ylethanamine

C13H15NS — CID 3062031

IUPAC2-(4-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1ccc(CC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NS/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h2-8,12H,9,14H2,1H3
InChIKeyBEILLTZIRGNFFK-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-methylphenyl)-1-thiophen-2-ylethanamine

2-(4-methylphenyl)-1-thiophen-2-ylethanamine (PubChem CID 3062031) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-thiophen-2-ylethanamine
PubChem CID3062031
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-(4-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1ccc(CC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NS/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h2-8,12H,9,14H2,1H3
InChIKeyBEILLTZIRGNFFK-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
Tifacogin
CID 961320
1-(Thiophen-2-yl)cyclohexan-1-amine
CID 820723
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-thiophen-2-ylethanamine (CID 3062031) is 2-(4-methylphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-thiophen-2-ylethanamine is Cc1ccc(CC(N)c2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is BEILLTZIRGNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-thiophen-2-ylethanamine?
2-(4-methylphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3062031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).