1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine

C29H28N2O3 — CID 1275998

IUPAC1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C29H28N2O3/c1-32-29-19-22(20-30-25-10-12-26(13-11-25)31-15-17-33-18-16-31)9-14-28(29)34-21-24-7-4-6-23-5-2-3-8-27(23)24/h2-14,19-20H,15-18,21H2,1H3/b30-20+
InChIKeyCGYPQAIRYNVINU-TWKHWXDSSA-N
MW452.55 g/mol
LogP6.01
Rot. Bonds7

About 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1275998) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1275998
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC Name1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C29H28N2O3/c1-32-29-19-22(20-30-25-10-12-26(13-11-25)31-15-17-33-18-16-31)9-14-28(29)34-21-24-7-4-6-23-5-2-3-8-27(23)24/h2-14,19-20H,15-18,21H2,1H3/b30-20+
InChIKeyCGYPQAIRYNVINU-TWKHWXDSSA-N
XLogP6.01
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)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

1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1280891
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 1018502
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 23738973
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1275998) is 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine is COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is CGYPQAIRYNVINU-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-32-29-19-22(20-30-25-10-12-26(13-11-25)31-15-17-33-18-16-31)9-14-28(29)34-21-24-7-4-6-23-5-2-3-8-27(23)24/h2-14,19-20H,15-18,21H2,1H3/b30-20+.
What are the key properties of 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 452.55 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1275998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).