5-(furan-2-yl)-N,2-dimethylaniline

C12H13NO — CID 68654005

IUPAC5-(furan-2-yl)-N,2-dimethylaniline
SMILESCNc1cc(-c2ccco2)ccc1C
InChIInChI=1S/C12H13NO/c1-9-5-6-10(8-11(9)13-2)12-4-3-7-14-12/h3-8,13H,1-2H3
InChIKeyOJPFUEXMNDDBLU-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.30
Rot. Bonds2

About 5-(furan-2-yl)-N,2-dimethylaniline

5-(furan-2-yl)-N,2-dimethylaniline (PubChem CID 68654005) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(furan-2-yl)-N,2-dimethylaniline.

Molecular Properties

Compound Name5-(furan-2-yl)-N,2-dimethylaniline
PubChem CID68654005
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(furan-2-yl)-N,2-dimethylaniline
SMILESCNc1cc(-c2ccco2)ccc1C
InChIInChI=1S/C12H13NO/c1-9-5-6-10(8-11(9)13-2)12-4-3-7-14-12/h3-8,13H,1-2H3
InChIKeyOJPFUEXMNDDBLU-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N,2-dimethylaniline?
The IUPAC name of 5-(furan-2-yl)-N,2-dimethylaniline (CID 68654005) is 5-(furan-2-yl)-N,2-dimethylaniline.
What is the SMILES notation for 5-(furan-2-yl)-N,2-dimethylaniline?
The canonical SMILES for 5-(furan-2-yl)-N,2-dimethylaniline is CNc1cc(-c2ccco2)ccc1C.
What is the InChIKey of 5-(furan-2-yl)-N,2-dimethylaniline?
The InChIKey is OJPFUEXMNDDBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-5-6-10(8-11(9)13-2)12-4-3-7-14-12/h3-8,13H,1-2H3.
What are the key properties of 5-(furan-2-yl)-N,2-dimethylaniline?
5-(furan-2-yl)-N,2-dimethylaniline has a molecular weight of 187.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N,2-dimethylaniline is sourced from PubChem (CID 68654005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).