N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine

C15H21NS2 — CID 81156291

IUPACN-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)c1sccc1CC
InChIInChI=1S/C15H21NS2/c1-5-12-7-8-17-15(12)13(16-6-2)14-10(3)9-11(4)18-14/h7-9,13,16H,5-6H2,1-4H3
InChIKeyWFCJSJLDKFTLGO-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.69
Rot. Bonds5

About N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine

N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 81156291) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID81156291
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)c1sccc1CC
InChIInChI=1S/C15H21NS2/c1-5-12-7-8-17-15(12)13(16-6-2)14-10(3)9-11(4)18-14/h7-9,13,16H,5-6H2,1-4H3
InChIKeyWFCJSJLDKFTLGO-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(3-ethylthiophen-2-yl)methyl]-3,5-dimethylthiophene
CID 81157909
N-[(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 102827672
N-[(3-ethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 79986033
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(4,5-dibromothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 80534072
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79985462
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
CID 81156037
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine (CID 81156291) is N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1sc(C)cc1C)c1sccc1CC.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WFCJSJLDKFTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-5-12-7-8-17-15(12)13(16-6-2)14-10(3)9-11(4)18-14/h7-9,13,16H,5-6H2,1-4H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).