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

C12H13NO — CID 11788715

IUPAC4-(furan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H13NO/c1-13(2)11-7-5-10(6-8-11)12-4-3-9-14-12/h3-9H,1-2H3
InChIKeyWAYYNBUKWMFGLX-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.01
Rot. Bonds2

About 4-(furan-2-yl)-N,N-dimethylaniline

4-(furan-2-yl)-N,N-dimethylaniline (PubChem CID 11788715) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(furan-2-yl)-N,N-dimethylaniline
PubChem CID11788715
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(furan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H13NO/c1-13(2)11-7-5-10(6-8-11)12-4-3-9-14-12/h3-9H,1-2H3
InChIKeyWAYYNBUKWMFGLX-UHFFFAOYSA-N
XLogP3.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(furan-2-yl)-N,N-dimethylaniline (CID 11788715) is 4-(furan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(furan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(furan-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N,N-dimethylaniline?
The InChIKey is WAYYNBUKWMFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13(2)11-7-5-10(6-8-11)12-4-3-9-14-12/h3-9H,1-2H3.
What are the key properties of 4-(furan-2-yl)-N,N-dimethylaniline?
4-(furan-2-yl)-N,N-dimethylaniline has a molecular weight of 187.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 11788715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).