ethane;2-(furan-3-yl)-N,4-dimethylaniline

C16H25NO — CID 145268869

IUPACethane;2-(furan-3-yl)-N,4-dimethylaniline
SMILESCC.CC.CNc1ccc(C)cc1-c1ccoc1
InChIInChI=1S/C12H13NO.2C2H6/c1-9-3-4-12(13-2)11(7-9)10-5-6-14-8-10;2*1-2/h3-8,13H,1-2H3;2*1-2H3
InChIKeyFCXVSKKQYOLXQD-UHFFFAOYSA-N
MW247.38 g/mol
LogP5.35
Rot. Bonds2

About ethane;2-(furan-3-yl)-N,4-dimethylaniline

ethane;2-(furan-3-yl)-N,4-dimethylaniline (PubChem CID 145268869) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;2-(furan-3-yl)-N,4-dimethylaniline.

Molecular Properties

Compound Nameethane;2-(furan-3-yl)-N,4-dimethylaniline
PubChem CID145268869
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;2-(furan-3-yl)-N,4-dimethylaniline
SMILESCC.CC.CNc1ccc(C)cc1-c1ccoc1
InChIInChI=1S/C12H13NO.2C2H6/c1-9-3-4-12(13-2)11(7-9)10-5-6-14-8-10;2*1-2/h3-8,13H,1-2H3;2*1-2H3
InChIKeyFCXVSKKQYOLXQD-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.38
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(furan-3-yl)-N,4-dimethylaniline?
The IUPAC name of ethane;2-(furan-3-yl)-N,4-dimethylaniline (CID 145268869) is ethane;2-(furan-3-yl)-N,4-dimethylaniline.
What is the SMILES notation for ethane;2-(furan-3-yl)-N,4-dimethylaniline?
The canonical SMILES for ethane;2-(furan-3-yl)-N,4-dimethylaniline is CC.CC.CNc1ccc(C)cc1-c1ccoc1.
What is the InChIKey of ethane;2-(furan-3-yl)-N,4-dimethylaniline?
The InChIKey is FCXVSKKQYOLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.2C2H6/c1-9-3-4-12(13-2)11(7-9)10-5-6-14-8-10;2*1-2/h3-8,13H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(furan-3-yl)-N,4-dimethylaniline?
ethane;2-(furan-3-yl)-N,4-dimethylaniline has a molecular weight of 247.38 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(furan-3-yl)-N,4-dimethylaniline is sourced from PubChem (CID 145268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).