(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine

C12H15NS2 — CID 43464349

IUPAC(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2sccc2C)s1
InChIInChI=1S/C12H15NS2/c1-3-9-4-5-10(15-9)11(13)12-8(2)6-7-14-12/h4-7,11H,3,13H2,1-2H3
InChIKeyKBKMYXYPBHZEOC-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.73
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine

(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 43464349) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID43464349
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC Name(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2sccc2C)s1
InChIInChI=1S/C12H15NS2/c1-3-9-4-5-10(15-9)11(13)12-8(2)6-7-14-12/h4-7,11H,3,13H2,1-2H3
InChIKeyKBKMYXYPBHZEOC-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115842607
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
[(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]hydrazine
CID 105327811
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
N-[(3-ethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 79986033
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 43464349) is (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2sccc2C)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KBKMYXYPBHZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-3-9-4-5-10(15-9)11(13)12-8(2)6-7-14-12/h4-7,11H,3,13H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 237.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43464349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).