1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine

C24H31NO3 — CID 3837927

IUPAC1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine
SMILESCOc1ccc(/C=N/CCC2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO3/c1-23(2)18-24(14-16-28-23,20-7-11-22(27-4)12-8-20)13-15-25-17-19-5-9-21(26-3)10-6-19/h5-12,17H,13-16,18H2,1-4H3/b25-17+
InChIKeyPWVDAIZGNIJFFP-KOEQRZSOSA-N
MW381.52 g/mol
LogP5.04
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine

1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine (PubChem CID 3837927) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine
PubChem CID3837927
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine
SMILESCOc1ccc(/C=N/CCC2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO3/c1-23(2)18-24(14-16-28-23,20-7-11-22(27-4)12-8-20)13-15-25-17-19-5-9-21(26-3)10-6-19/h5-12,17H,13-16,18H2,1-4H3/b25-17+
InChIKeyPWVDAIZGNIJFFP-KOEQRZSOSA-N
XLogP5.04
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.04
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-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine (CID 3837927) is 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine is COc1ccc(/C=N/CCC2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine?
The InChIKey is PWVDAIZGNIJFFP-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H31NO3/c1-23(2)18-24(14-16-28-23,20-7-11-22(27-4)12-8-20)13-15-25-17-19-5-9-21(26-3)10-6-19/h5-12,17H,13-16,18H2,1-4H3/b25-17+.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine?
1-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine has a molecular weight of 381.52 g/mol, XLogP of 5.04, 7 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-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]methanimine is sourced from PubChem (CID 3837927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).