2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol

C25H30N2O2 — CID 137101512

IUPAC2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/C2CC3CCC2(/N=C/c2cc(C)cc(C)c2O)C3)c1
InChIInChI=1S/C25H30N2O2/c1-15-7-17(3)23(28)20(9-15)13-26-22-11-19-5-6-25(22,12-19)27-14-21-10-16(2)8-18(4)24(21)29/h7-10,13-14,19,22,28-29H,5-6,11-12H2,1-4H3/b26-13+,27-14+
InChIKeyUXCJUAQGDNDWBX-BMNRKXRESA-N
MW390.53 g/mol
LogP5.18
Rot. Bonds4

About 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol

2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol (PubChem CID 137101512) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol
PubChem CID137101512
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/C2CC3CCC2(/N=C/c2cc(C)cc(C)c2O)C3)c1
InChIInChI=1S/C25H30N2O2/c1-15-7-17(3)23(28)20(9-15)13-26-22-11-19-5-6-25(22,12-19)27-14-21-10-16(2)8-18(4)24(21)29/h7-10,13-14,19,22,28-29H,5-6,11-12H2,1-4H3/b26-13+,27-14+
InChIKeyUXCJUAQGDNDWBX-BMNRKXRESA-N
XLogP5.18
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol 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 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol (CID 137101512) is 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/C=N/C2CC3CCC2(/N=C/c2cc(C)cc(C)c2O)C3)c1.
What is the InChIKey of 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol?
The InChIKey is UXCJUAQGDNDWBX-BMNRKXRESA-N. The full InChI is InChI=1S/C25H30N2O2/c1-15-7-17(3)23(28)20(9-15)13-26-22-11-19-5-6-25(22,12-19)27-14-21-10-16(2)8-18(4)24(21)29/h7-10,13-14,19,22,28-29H,5-6,11-12H2,1-4H3/b26-13+,27-14+.
What are the key properties of 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol?
2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol has a molecular weight of 390.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-4,6-dimethylphenol is sourced from PubChem (CID 137101512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).