1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine

C12H15NOS — CID 105029526

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccco2)sc1C
InChIInChI=1S/C12H15NOS/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6,11H,7,13H2,1-2H3
InChIKeyYADPPVVPQNDTSB-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.20
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine

1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine (PubChem CID 105029526) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
PubChem CID105029526
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccco2)sc1C
InChIInChI=1S/C12H15NOS/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6,11H,7,13H2,1-2H3
InChIKeyYADPPVVPQNDTSB-UHFFFAOYSA-N
XLogP3.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105029463
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
CID 115794294
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
2-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791252

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine (CID 105029526) is 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine is Cc1cc(C(N)Cc2ccco2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine?
The InChIKey is YADPPVVPQNDTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6,11H,7,13H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine?
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).