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

C13H14N2O — CID 781698

IUPAC4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O/c1-15(2)12-7-5-11(6-8-12)14-10-13-4-3-9-16-13/h3-10H,1-2H3/b14-10+
InChIKeyJRYZHBZAMKMHEZ-GXDHUFHOSA-N
MW214.27 g/mol
LogP3.10
Rot. Bonds3

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

4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline (PubChem CID 781698) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
PubChem CID781698
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O/c1-15(2)12-7-5-11(6-8-12)14-10-13-4-3-9-16-13/h3-10H,1-2H3/b14-10+
InChIKeyJRYZHBZAMKMHEZ-GXDHUFHOSA-N
XLogP3.10
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline?
The IUPAC name of 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline (CID 781698) is 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline.
What is the SMILES notation for 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline?
The canonical SMILES for 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline is CN(C)c1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline?
The InChIKey is JRYZHBZAMKMHEZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15(2)12-7-5-11(6-8-12)14-10-13-4-3-9-16-13/h3-10H,1-2H3/b14-10+.
What are the key properties of 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline?
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline has a molecular weight of 214.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline is sourced from PubChem (CID 781698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).