2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine

C13H17NS2 — CID 115842607

IUPAC2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2sccc2C)s1
InChIInChI=1S/C13H17NS2/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-7,12H,3,8,14H2,1-2H3
InChIKeyRRMBUYJCHIKQJU-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.92
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115842607) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115842607
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2sccc2C)s1
InChIInChI=1S/C13H17NS2/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-7,12H,3,8,14H2,1-2H3
InChIKeyRRMBUYJCHIKQJU-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464349
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105029463
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (CID 115842607) is 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is CCc1ccc(CC(N)c2sccc2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is RRMBUYJCHIKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-7,12H,3,8,14H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115842607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).