4-(benzylideneamino)-N,N-diethylaniline

C17H20N2 — CID 913738

IUPAC4-(benzylideneamino)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-19(4-2)17-12-10-16(11-13-17)18-14-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3/b18-14+
InChIKeyFWDLETNGHFFARE-NBVRZTHBSA-N
MW252.36 g/mol
LogP4.28
Rot. Bonds5

About 4-(benzylideneamino)-N,N-diethylaniline

4-(benzylideneamino)-N,N-diethylaniline (PubChem CID 913738) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(benzylideneamino)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(benzylideneamino)-N,N-diethylaniline
PubChem CID913738
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-(benzylideneamino)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-19(4-2)17-12-10-16(11-13-17)18-14-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3/b18-14+
InChIKeyFWDLETNGHFFARE-NBVRZTHBSA-N
XLogP4.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(benzylideneamino)-N,N-diethylaniline?
The IUPAC name of 4-(benzylideneamino)-N,N-diethylaniline (CID 913738) is 4-(benzylideneamino)-N,N-diethylaniline.
What is the SMILES notation for 4-(benzylideneamino)-N,N-diethylaniline?
The canonical SMILES for 4-(benzylideneamino)-N,N-diethylaniline is CCN(CC)c1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-(benzylideneamino)-N,N-diethylaniline?
The InChIKey is FWDLETNGHFFARE-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-19(4-2)17-12-10-16(11-13-17)18-14-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3/b18-14+.
What are the key properties of 4-(benzylideneamino)-N,N-diethylaniline?
4-(benzylideneamino)-N,N-diethylaniline has a molecular weight of 252.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylideneamino)-N,N-diethylaniline is sourced from PubChem (CID 913738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).