1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine

C13H13NO2 — CID 75859441

IUPAC1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
SMILESCc1ccc(C=NOCc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c1-11-7-8-13(16-11)9-14-15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyHQXAEVBKMVQZOK-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine

1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine (PubChem CID 75859441) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
PubChem CID75859441
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
SMILESCc1ccc(C=NOCc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c1-11-7-8-13(16-11)9-14-15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyHQXAEVBKMVQZOK-UHFFFAOYSA-N
XLogP3.14
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.14
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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Related Compounds

(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
2-[(5-methylfuran-2-yl)methylideneamino]oxyacetic acid
CID 77013391
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline
CID 86638529
N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
CID 4652420
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine (CID 75859441) is 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine is Cc1ccc(C=NOCc2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine?
The InChIKey is HQXAEVBKMVQZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-11-7-8-13(16-11)9-14-15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine?
1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine has a molecular weight of 215.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 75859441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).