1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine

C16H17NO2 — CID 126205496

IUPAC1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO2/c1-3-19-16-6-4-5-13(11-16)12-17-14-7-9-15(18-2)10-8-14/h4-12H,3H2,1-2H3/b17-12+
InChIKeyBCFGTOUGXNUKMJ-SFQUDFHCSA-N
MW255.32 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine

1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine (PubChem CID 126205496) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
PubChem CID126205496
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO2/c1-3-19-16-6-4-5-13(11-16)12-17-14-7-9-15(18-2)10-8-14/h4-12H,3H2,1-2H3/b17-12+
InChIKeyBCFGTOUGXNUKMJ-SFQUDFHCSA-N
XLogP3.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126216277
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
[3-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126207081
1-[3-[(4-methoxyphenyl)iminomethyl]phenyl]-N-[(4-methoxyphenyl)methyl]methanimine
CID 160577318
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine (CID 126205496) is 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine is CCOc1cccc(/C=N/c2ccc(OC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is BCFGTOUGXNUKMJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-16-6-4-5-13(11-16)12-17-14-7-9-15(18-2)10-8-14/h4-12H,3H2,1-2H3/b17-12+.
What are the key properties of 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine?
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 255.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126205496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).