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

C13H17NS2 — CID 102841821

IUPAC1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2ccsc2C)s1
InChIInChI=1S/C13H17NS2/c1-4-10-5-6-12(16-10)13(14-3)11-7-8-15-9(11)2/h5-8,13-14H,4H2,1-3H3
InChIKeyNRCDRSITZDGIIH-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.99
Rot. Bonds4

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

1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841821) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841821
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2ccsc2C)s1
InChIInChI=1S/C13H17NS2/c1-4-10-5-6-12(16-10)13(14-3)11-7-8-15-9(11)2/h5-8,13-14H,4H2,1-3H3
InChIKeyNRCDRSITZDGIIH-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

1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215380
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 103400647
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778
1-(2-bromo-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480821
1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841118

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102841821) is 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CCc1ccc(C(NC)c2ccsc2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is NRCDRSITZDGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-4-10-5-6-12(16-10)13(14-3)11-7-8-15-9(11)2/h5-8,13-14H,4H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-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-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).