1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

C30H28N2O2 — CID 71317432

IUPAC1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28N2O2/c1-33-27-17-11-23(12-18-27)21-31-29-9-5-3-7-25(29)15-16-26-8-4-6-10-30(26)32-22-24-13-19-28(34-2)20-14-24/h3-14,17-22H,15-16H2,1-2H3/b31-21+,32-22+
InChIKeyCBNZDEGAHIIYIW-RWRHWQIFSA-N
MW448.57 g/mol
LogP6.99
Rot. Bonds9

About 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (PubChem CID 71317432) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
PubChem CID71317432
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28N2O2/c1-33-27-17-11-23(12-18-27)21-31-29-9-5-3-7-25(29)15-16-26-8-4-6-10-30(26)32-22-24-13-19-28(34-2)20-14-24/h3-14,17-22H,15-16H2,1-2H3/b31-21+,32-22+
InChIKeyCBNZDEGAHIIYIW-RWRHWQIFSA-N
XLogP6.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
CID 15326220
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 780574
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
4-[(2-decylphenyl)iminomethyl]benzonitrile
CID 21396736
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (CID 71317432) is 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is COc1ccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The InChIKey is CBNZDEGAHIIYIW-RWRHWQIFSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-33-27-17-11-23(12-18-27)21-31-29-9-5-3-7-25(29)15-16-26-8-4-6-10-30(26)32-22-24-13-19-28(34-2)20-14-24/h3-14,17-22H,15-16H2,1-2H3/b31-21+,32-22+.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine has a molecular weight of 448.57 g/mol, XLogP of 6.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 71317432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).