2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline

C31H32N2O — CID 101467698

IUPAC2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H32N2O/c1-22(2)28-14-10-15-29(23(3)4)31(28)32-21-24-11-8-9-16-30(24)33-25-17-19-27(20-18-25)34-26-12-6-5-7-13-26/h5-23,33H,1-4H3/b32-21+
InChIKeyBYJGCZRWABTSSX-RUMWWMSVSA-N
MW448.61 g/mol
LogP9.22
Rot. Bonds8

About 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline

2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline (PubChem CID 101467698) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
PubChem CID101467698
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H32N2O/c1-22(2)28-14-10-15-29(23(3)4)31(28)32-21-24-11-8-9-16-30(24)33-25-17-19-27(20-18-25)34-26-12-6-5-7-13-26/h5-23,33H,1-4H3/b32-21+
InChIKeyBYJGCZRWABTSSX-RUMWWMSVSA-N
XLogP9.22
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
N-phenyl-2-(phenyliminomethyl)aniline
CID 21342734
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
CID 21342904
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline (CID 101467698) is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline?
The InChIKey is BYJGCZRWABTSSX-RUMWWMSVSA-N. The full InChI is InChI=1S/C31H32N2O/c1-22(2)28-14-10-15-29(23(3)4)31(28)32-21-24-11-8-9-16-30(24)33-25-17-19-27(20-18-25)34-26-12-6-5-7-13-26/h5-23,33H,1-4H3/b32-21+.
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline?
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline has a molecular weight of 448.61 g/mol, XLogP of 9.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 101467698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).