N-benzyl-N-(furan-2-ylmethylideneamino)aniline

C18H16N2O — CID 4200893

IUPACN-benzyl-N-(furan-2-ylmethylideneamino)aniline
SMILESC(=NN(Cc1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C18H16N2O/c1-3-8-16(9-4-1)15-20(17-10-5-2-6-11-17)19-14-18-12-7-13-21-18/h1-14H,15H2
InChIKeyGVVFSBGAOXCHLQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.32
Rot. Bonds5

About N-benzyl-N-(furan-2-ylmethylideneamino)aniline

N-benzyl-N-(furan-2-ylmethylideneamino)aniline (PubChem CID 4200893) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethylideneamino)aniline
PubChem CID4200893
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-benzyl-N-(furan-2-ylmethylideneamino)aniline
SMILESC(=NN(Cc1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C18H16N2O/c1-3-8-16(9-4-1)15-20(17-10-5-2-6-11-17)19-14-18-12-7-13-21-18/h1-14H,15H2
InChIKeyGVVFSBGAOXCHLQ-UHFFFAOYSA-N
XLogP4.32
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethylideneamino)aniline?
The IUPAC name of N-benzyl-N-(furan-2-ylmethylideneamino)aniline (CID 4200893) is N-benzyl-N-(furan-2-ylmethylideneamino)aniline.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethylideneamino)aniline?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethylideneamino)aniline is C(=NN(Cc1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethylideneamino)aniline?
The InChIKey is GVVFSBGAOXCHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-8-16(9-4-1)15-20(17-10-5-2-6-11-17)19-14-18-12-7-13-21-18/h1-14H,15H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethylideneamino)aniline?
N-benzyl-N-(furan-2-ylmethylideneamino)aniline has a molecular weight of 276.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethylideneamino)aniline is sourced from PubChem (CID 4200893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).