N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine

C19H16N2O — CID 2339692

IUPACN-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine
SMILESC=C(NN=C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C19H16N2O/c1-15(18-13-8-14-22-18)20-21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,1H2
InChIKeyKGVOHKYFBNPMCY-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.29
Rot. Bonds5

About N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine

N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine (PubChem CID 2339692) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine
PubChem CID2339692
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC NameN-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine
SMILESC=C(NN=C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C19H16N2O/c1-15(18-13-8-14-22-18)20-21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,1H2
InChIKeyKGVOHKYFBNPMCY-UHFFFAOYSA-N
XLogP4.29
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.29
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-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine?
The IUPAC name of N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine (CID 2339692) is N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine.
What is the SMILES notation for N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine?
The canonical SMILES for N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine is C=C(NN=C(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine?
The InChIKey is KGVOHKYFBNPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-15(18-13-8-14-22-18)20-21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,1H2.
What are the key properties of N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine?
N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine has a molecular weight of 288.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-(furan-2-yl)ethenamine is sourced from PubChem (CID 2339692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).