5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine

C15H19N3O — CID 45119731

IUPAC5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine
SMILESCN(C)c1ccc(/N=C/c2ccc(N(C)C)o2)cc1
InChIInChI=1S/C15H19N3O/c1-17(2)13-7-5-12(6-8-13)16-11-14-9-10-15(19-14)18(3)4/h5-11H,1-4H3/b16-11+
InChIKeyVINBCJFYHVZHCH-LFIBNONCSA-N
MW257.34 g/mol
LogP3.16
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine

5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine (PubChem CID 45119731) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine
PubChem CID45119731
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine
SMILESCN(C)c1ccc(/N=C/c2ccc(N(C)C)o2)cc1
InChIInChI=1S/C15H19N3O/c1-17(2)13-7-5-12(6-8-13)16-11-14-9-10-15(19-14)18(3)4/h5-11H,1-4H3/b16-11+
InChIKeyVINBCJFYHVZHCH-LFIBNONCSA-N
XLogP3.16
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine (CID 45119731) is 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine is CN(C)c1ccc(/N=C/c2ccc(N(C)C)o2)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine?
The InChIKey is VINBCJFYHVZHCH-LFIBNONCSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)13-7-5-12(6-8-13)16-11-14-9-10-15(19-14)18(3)4/h5-11H,1-4H3/b16-11+.
What are the key properties of 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine?
5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]iminomethyl]-N,N-dimethylfuran-2-amine is sourced from PubChem (CID 45119731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).