N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine

C25H29NO2 — CID 3584287

IUPACN-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine
SMILESCOc1ccc(OC)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C25H29NO2/c1-27-23-7-8-24(28-2)20(12-23)16-26-22-5-3-21(4-6-22)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,16-19H,9-11,13-15H2,1-2H3/b26-16+
InChIKeyBGEQJYJDTSKNSI-WGOQTCKBSA-N
MW375.51 g/mol
LogP5.92
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine

N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine (PubChem CID 3584287) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine
PubChem CID3584287
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine
SMILESCOc1ccc(OC)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C25H29NO2/c1-27-23-7-8-24(28-2)20(12-23)16-26-22-5-3-21(4-6-22)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,16-19H,9-11,13-15H2,1-2H3/b26-16+
InChIKeyBGEQJYJDTSKNSI-WGOQTCKBSA-N
XLogP5.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.92
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

2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 22193867
N-[4-(1-adamantyl)phenyl]-1-(4-phenoxyphenyl)methanimine
CID 4646171
N-[4-(1-adamantyl)phenyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126103156
2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 23823805
1-(3-methoxyphenyl)adamantane
CID 54036220
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
methyl 4-[[3-(1-adamantyl)-4-methoxyphenyl]methylideneamino]benzoate
CID 67591566
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
N-[4-(1-adamantyl)phenyl]-1-(1-methylpyrrol-3-yl)methanimine
CID 50853343
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
1-(5-isocyanato-2-methoxyphenyl)adamantane
CID 169355819

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine (CID 3584287) is N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine is COc1ccc(OC)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine?
The InChIKey is BGEQJYJDTSKNSI-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H29NO2/c1-27-23-7-8-24(28-2)20(12-23)16-26-22-5-3-21(4-6-22)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,16-19H,9-11,13-15H2,1-2H3/b26-16+.
What are the key properties of N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine?
N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine has a molecular weight of 375.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-1-(2,5-dimethoxyphenyl)methanimine is sourced from PubChem (CID 3584287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).