2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C12H14ClNOS — CID 115841648

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C12H14ClNOS/c1-7-5-10(8(2)15-7)11(14)6-9-3-4-12(13)16-9/h3-5,11H,6,14H2,1-2H3
InChIKeyITQYRBPDRYQNGQ-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.85
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 115841648) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID115841648
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C12H14ClNOS/c1-7-5-10(8(2)15-7)11(14)6-9-3-4-12(13)16-9/h3-5,11H,6,14H2,1-2H3
InChIKeyITQYRBPDRYQNGQ-UHFFFAOYSA-N
XLogP3.85
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 115841648) is 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Cl)s2)c(C)o1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is ITQYRBPDRYQNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c1-7-5-10(8(2)15-7)11(14)6-9-3-4-12(13)16-9/h3-5,11H,6,14H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 255.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115841648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).