(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine

C20H18N2O3 — CID 130381597

IUPAC(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
SMILESC(=N/OCc1ccccc1)\c1ccc(/C=N/OCc2ccccc2)o1
InChIInChI=1S/C20H18N2O3/c1-3-7-17(8-4-1)15-23-21-13-19-11-12-20(25-19)14-22-24-16-18-9-5-2-6-10-18/h1-14H,15-16H2/b21-13+,22-14+
InChIKeyHKQGBWHUYZXYLJ-JFMUQQRKSA-N
MW334.38 g/mol
LogP4.38
Rot. Bonds8

About (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine

(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine (PubChem CID 130381597) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
PubChem CID130381597
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
SMILESC(=N/OCc1ccccc1)\c1ccc(/C=N/OCc2ccccc2)o1
InChIInChI=1S/C20H18N2O3/c1-3-7-17(8-4-1)15-23-21-13-19-11-12-20(25-19)14-22-24-16-18-9-5-2-6-10-18/h1-14H,15-16H2/b21-13+,22-14+
InChIKeyHKQGBWHUYZXYLJ-JFMUQQRKSA-N
XLogP4.38
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
CID 75859441
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
CID 21233808
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
CID 177433206

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine?
The IUPAC name of (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine (CID 130381597) is (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine.
What is the SMILES notation for (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine?
The canonical SMILES for (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine is C(=N/OCc1ccccc1)\c1ccc(/C=N/OCc2ccccc2)o1.
What is the InChIKey of (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine?
The InChIKey is HKQGBWHUYZXYLJ-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-7-17(8-4-1)15-23-21-13-19-11-12-20(25-19)14-22-24-16-18-9-5-2-6-10-18/h1-14H,15-16H2/b21-13+,22-14+.
What are the key properties of (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine?
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine has a molecular weight of 334.38 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine is sourced from PubChem (CID 130381597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).