1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine

C13H17NS2 — CID 104991296

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCCc1ccsc1C(NC)c1csc(C)c1
InChIInChI=1S/C13H17NS2/c1-4-10-5-6-15-13(10)12(14-3)11-7-9(2)16-8-11/h5-8,12,14H,4H2,1-3H3
InChIKeyJTQRHVMSLFCVFT-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine

1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991296) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
PubChem CID104991296
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCCc1ccsc1C(NC)c1csc(C)c1
InChIInChI=1S/C13H17NS2/c1-4-10-5-6-15-13(10)12(14-3)11-7-9(2)16-8-11/h5-8,12,14H,4H2,1-3H3
InChIKeyJTQRHVMSLFCVFT-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-ethylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313192
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985540
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985467
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine (CID 104991296) is 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine is CCc1ccsc1C(NC)c1csc(C)c1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is JTQRHVMSLFCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-4-10-5-6-15-13(10)12(14-3)11-7-9(2)16-8-11/h5-8,12,14H,4H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 251.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).