N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline

C18H16N2O — CID 168528415

IUPACN-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccccc1-c1ccco1
InChIInChI=1S/C18H16N2O/c1-14(19-20-15-8-3-2-4-9-15)16-10-5-6-11-17(16)18-12-7-13-21-18/h2-13,20H,1H3
InChIKeyJSLJZSAFFJDIAK-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.78
Rot. Bonds4

About N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline

N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline (PubChem CID 168528415) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline.

Molecular Properties

Compound NameN-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline
PubChem CID168528415
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccccc1-c1ccco1
InChIInChI=1S/C18H16N2O/c1-14(19-20-15-8-3-2-4-9-15)16-10-5-6-11-17(16)18-12-7-13-21-18/h2-13,20H,1H3
InChIKeyJSLJZSAFFJDIAK-UHFFFAOYSA-N
XLogP4.78
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
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-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline?
The IUPAC name of N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline (CID 168528415) is N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline.
What is the SMILES notation for N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline?
The canonical SMILES for N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline is CC(=NNc1ccccc1)c1ccccc1-c1ccco1.
What is the InChIKey of N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline?
The InChIKey is JSLJZSAFFJDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14(19-20-15-8-3-2-4-9-15)16-10-5-6-11-17(16)18-12-7-13-21-18/h2-13,20H,1H3.
What are the key properties of N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline?
N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline has a molecular weight of 276.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline is sourced from PubChem (CID 168528415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).