N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine

C19H18N2O — CID 6869187

IUPACN-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine
SMILESC(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccco1
InChIInChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21(16-18-10-5-2-6-11-18)20-14-19-12-7-13-22-19/h1-14H,15-16H2/b20-14+
InChIKeyRESJANLRPGRKLB-XSFVSMFZSA-N
MW290.37 g/mol
LogP4.32
Rot. Bonds6

About N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine

N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine (PubChem CID 6869187) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine
PubChem CID6869187
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine
SMILESC(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccco1
InChIInChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21(16-18-10-5-2-6-11-18)20-14-19-12-7-13-22-19/h1-14H,15-16H2/b20-14+
InChIKeyRESJANLRPGRKLB-XSFVSMFZSA-N
XLogP4.32
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
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-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine (CID 6869187) is N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine is C(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccco1.
What is the InChIKey of N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine?
The InChIKey is RESJANLRPGRKLB-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21(16-18-10-5-2-6-11-18)20-14-19-12-7-13-22-19/h1-14H,15-16H2/b20-14+.
What are the key properties of N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine?
N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine has a molecular weight of 290.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 6869187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).