N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline

C18H19NOS — CID 43724573

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
SMILESCc1cc(C(C)Nc2ccccc2-c2cccs2)c(C)o1
InChIInChI=1S/C18H19NOS/c1-12-11-16(14(3)20-12)13(2)19-17-8-5-4-7-15(17)18-9-6-10-21-18/h4-11,13,19H,1-3H3
InChIKeyUAHFEXIDWMMZAC-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.80
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline (PubChem CID 43724573) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
PubChem CID43724573
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
SMILESCc1cc(C(C)Nc2ccccc2-c2cccs2)c(C)o1
InChIInChI=1S/C18H19NOS/c1-12-11-16(14(3)20-12)13(2)19-17-8-5-4-7-15(17)18-9-6-10-21-18/h4-11,13,19H,1-3H3
InChIKeyUAHFEXIDWMMZAC-UHFFFAOYSA-N
XLogP5.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline (CID 43724573) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline is Cc1cc(C(C)Nc2ccccc2-c2cccs2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline?
The InChIKey is UAHFEXIDWMMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-11-16(14(3)20-12)13(2)19-17-8-5-4-7-15(17)18-9-6-10-21-18/h4-11,13,19H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline has a molecular weight of 297.42 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).