2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol

C32H42N2O — CID 135997115

IUPAC2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccccc3O)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H42N2O/c1-19(2)26-14-23(15-27(20(3)4)31(26)33)13-24-16-28(21(5)6)32(29(17-24)22(7)8)34-18-25-11-9-10-12-30(25)35/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+
InChIKeyGUFZWOBBWGZFLB-FABQOPTDSA-N
MW470.70 g/mol
LogP8.81
Rot. Bonds8

About 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol

2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol (PubChem CID 135997115) has the molecular formula C32H42N2O and a molecular weight of 470.70 g/mol. Its IUPAC name is 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
PubChem CID135997115
Molecular FormulaC32H42N2O
Molecular Weight470.70 g/mol
Exact Mass470.33
IUPAC Name2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccccc3O)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H42N2O/c1-19(2)26-14-23(15-27(20(3)4)31(26)33)13-24-16-28(21(5)6)32(29(17-24)22(7)8)34-18-25-11-9-10-12-30(25)35/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+
InChIKeyGUFZWOBBWGZFLB-FABQOPTDSA-N
XLogP8.81
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
CID 135997123
N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol
CID 59364866
3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol
CID 59364880
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenol
CID 136602097
4-[N-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylphenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135997127
2-[(4-ethyl-2-pyridinyl)iminomethyl]phenol
CID 135427221
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol (CID 135997115) is 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol is CC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccccc3O)c(C(C)C)c2)cc(C(C)C)c1N.
What is the InChIKey of 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is GUFZWOBBWGZFLB-FABQOPTDSA-N. The full InChI is InChI=1S/C32H42N2O/c1-19(2)26-14-23(15-27(20(3)4)31(26)33)13-24-16-28(21(5)6)32(29(17-24)22(7)8)34-18-25-11-9-10-12-30(25)35/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+.
What are the key properties of 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 470.70 g/mol, XLogP of 8.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135997115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).