N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine

C14H19NOS2 — CID 81128007

IUPACN-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1cc(C)sc1C
InChIInChI=1S/C14H19NOS2/c1-5-15-14(12-6-9(2)18-10(12)3)13-7-11(16-4)8-17-13/h6-8,14-15H,5H2,1-4H3
InChIKeyOCLNQVPOQNOCLW-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 81128007) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID81128007
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1cc(C)sc1C
InChIInChI=1S/C14H19NOS2/c1-5-15-14(12-6-9(2)18-10(12)3)13-7-11(16-4)8-17-13/h6-8,14-15H,5H2,1-4H3
InChIKeyOCLNQVPOQNOCLW-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 81128007) is N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc(OC)cs1)c1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is OCLNQVPOQNOCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-5-15-14(12-6-9(2)18-10(12)3)13-7-11(16-4)8-17-13/h6-8,14-15H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 281.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81128007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).