2-(3,4-dimethylthiophen-2-yl)ethanamine

C8H13NS — CID 82648461

IUPAC2-(3,4-dimethylthiophen-2-yl)ethanamine
SMILESCc1csc(CCN)c1C
InChIInChI=1S/C8H13NS/c1-6-5-10-8(3-4-9)7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyALPQHIHHWDMXRL-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.87
Rot. Bonds2

About 2-(3,4-dimethylthiophen-2-yl)ethanamine

2-(3,4-dimethylthiophen-2-yl)ethanamine (PubChem CID 82648461) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(3,4-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylthiophen-2-yl)ethanamine
PubChem CID82648461
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(3,4-dimethylthiophen-2-yl)ethanamine
SMILESCc1csc(CCN)c1C
InChIInChI=1S/C8H13NS/c1-6-5-10-8(3-4-9)7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyALPQHIHHWDMXRL-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-2-pentylthiophene
CID 151508596
2-heptyl-3,4-dimethylthiophene
CID 142681632
ethane;2-ethyl-3,4-dimethylthiophene
CID 154656862
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
CID 90764518
(3-amino-4-methylthiophen-2-yl)methanol
CID 141480048
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine
CID 65305403
2-(5-methyl-4,6-dihydrothieno[3,4-c]pyrrol-3-yl)ethanamine
CID 82407521
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
2-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanamine
CID 82413103
2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene
CID 134244113

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylthiophen-2-yl)ethanamine (CID 82648461) is 2-(3,4-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylthiophen-2-yl)ethanamine is Cc1csc(CCN)c1C.
What is the InChIKey of 2-(3,4-dimethylthiophen-2-yl)ethanamine?
The InChIKey is ALPQHIHHWDMXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-10-8(3-4-9)7(6)2/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylthiophen-2-yl)ethanamine?
2-(3,4-dimethylthiophen-2-yl)ethanamine has a molecular weight of 155.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 82648461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).