1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine

C16H17NO2 — CID 964993

IUPAC1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H17NO2/c1-12-4-7-14(8-5-12)17-11-13-6-9-15(18-2)16(10-13)19-3/h4-11H,1-3H3/b17-11+
InChIKeyNXIZYRIJQVDBOZ-GZTJUZNOSA-N
MW255.32 g/mol
LogP3.76
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine

1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine (PubChem CID 964993) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
PubChem CID964993
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H17NO2/c1-12-4-7-14(8-5-12)17-11-13-6-9-15(18-2)16(10-13)19-3/h4-11H,1-3H3/b17-11+
InChIKeyNXIZYRIJQVDBOZ-GZTJUZNOSA-N
XLogP3.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.76
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

N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 102419767
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
CID 3284679
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
methyl 4-[(3-acetyloxy-4-methoxyphenyl)methylideneamino]benzoate
CID 625171
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine (CID 964993) is 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine is COc1ccc(/C=N/c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is NXIZYRIJQVDBOZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-4-7-14(8-5-12)17-11-13-6-9-15(18-2)16(10-13)19-3/h4-11H,1-3H3/b17-11+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 255.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 964993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).