1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

C25H36AlNO — CID 140702846

IUPAC1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O[Al](C)C)c1ccccc1
InChIInChI=1S/C23H31NO.2CH3.Al/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7;;;/h8-16,25H,1-7H3;2*1H3;/q;;;+1/p-1/b24-15+;;;/t16-;;;/m0.../s1
InChIKeySMUFOURHMDQIKH-HCYNZPRYSA-M
MW393.55 g/mol
LogP7.09
Rot. Bonds5

About 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 140702846) has the molecular formula C25H36AlNO and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID140702846
Molecular FormulaC25H36AlNO
Molecular Weight393.55 g/mol
Exact Mass393.26
IUPAC Name1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O[Al](C)C)c1ccccc1
InChIInChI=1S/C23H31NO.2CH3.Al/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7;;;/h8-16,25H,1-7H3;2*1H3;/q;;;+1/p-1/b24-15+;;;/t16-;;;/m0.../s1
InChIKeySMUFOURHMDQIKH-HCYNZPRYSA-M
XLogP7.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]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-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-(2-phenoxyphenyl)methanimine
CID 16687406
2-(benzhydryliminomethyl)-4,6-ditert-butylphenol
CID 135516520
2,4-ditert-butyl-6-[[2-[[3,5-ditert-butyl-2-[chloro(methyl)alumanyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 155648257
2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
CID 135588587
2-[(3,5-ditert-butyl-2-methoxyphenyl)methylideneamino]-2,2-diphenylacetic acid
CID 58531885
(2S)-N-benzhydryl-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-methylbutane-1-sulfonamide
CID 136786532
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
CID 19708107
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
dicopper;bis(2-(benzhydryliminomethyl)-4,6-ditert-butylphenolate);bis(2-(dimethylamino)ethanolate)
CID 139173115
copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
CID 139163460

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (CID 140702846) is 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O[Al](C)C)c1ccccc1.
What is the InChIKey of 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is SMUFOURHMDQIKH-HCYNZPRYSA-M. The full InChI is InChI=1S/C23H31NO.2CH3.Al/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7;;;/h8-16,25H,1-7H3;2*1H3;/q;;;+1/p-1/b24-15+;;;/t16-;;;/m0.../s1.
What are the key properties of 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 393.55 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 140702846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).