2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol

C20H25NO — CID 2731245

IUPAC2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
SMILESC/C(=N\Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1O
InChIInChI=1S/C20H25NO/c1-12-13(2)15(4)19(16(5)14(12)3)11-21-17(6)18-9-7-8-10-20(18)22/h7-10,22H,11H2,1-6H3/b21-17+
InChIKeyXARRYFFVXIEBRF-HEHNFIMWSA-N
MW295.43 g/mol
LogP4.94
Rot. Bonds3

About 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol

2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol (PubChem CID 2731245) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
PubChem CID2731245
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
SMILESC/C(=N\Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1O
InChIInChI=1S/C20H25NO/c1-12-13(2)15(4)19(16(5)14(12)3)11-21-17(6)18-9-7-8-10-20(18)22/h7-10,22H,11H2,1-6H3/b21-17+
InChIKeyXARRYFFVXIEBRF-HEHNFIMWSA-N
XLogP4.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
CID 135844947
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
CID 136688295
2-[1-[1-(2-hydroxyphenyl)ethylideneamino]propan-2-yliminomethyl]phenol
CID 136707520
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
CID 174947834
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]formamide
CID 135450929

Frequently Asked Questions

What is the IUPAC name of 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol?
The IUPAC name of 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol (CID 2731245) is 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol?
The canonical SMILES for 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol is C/C(=N\Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1O.
What is the InChIKey of 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol?
The InChIKey is XARRYFFVXIEBRF-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H25NO/c1-12-13(2)15(4)19(16(5)14(12)3)11-21-17(6)18-9-7-8-10-20(18)22/h7-10,22H,11H2,1-6H3/b21-17+.
What are the key properties of 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol?
2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol has a molecular weight of 295.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol is sourced from PubChem (CID 2731245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).