4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol

C30H40N2O — CID 59265226

IUPAC4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol
SMILESCc1cc(CN(c2ccc(Nc3ccccc3)cc2)C(C)CC(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H40N2O/c1-21(2)17-23(4)32(20-24-18-22(3)29(33)28(19-24)30(5,6)7)27-15-13-26(14-16-27)31-25-11-9-8-10-12-25/h8-16,18-19,21,23,31,33H,17,20H2,1-7H3
InChIKeyLURRPJYBXDPSBC-UHFFFAOYSA-N
MW444.66 g/mol
LogP8.18
Rot. Bonds8

About 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol

4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol (PubChem CID 59265226) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol.

Molecular Properties

Compound Name4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol
PubChem CID59265226
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC Name4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol
SMILESCc1cc(CN(c2ccc(Nc3ccccc3)cc2)C(C)CC(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H40N2O/c1-21(2)17-23(4)32(20-24-18-22(3)29(33)28(19-24)30(5,6)7)27-15-13-26(14-16-27)31-25-11-9-8-10-12-25/h8-16,18-19,21,23,31,33H,17,20H2,1-7H3
InChIKeyLURRPJYBXDPSBC-UHFFFAOYSA-N
XLogP8.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol with MolForge

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Related Compounds

2-[[4-(4-anilinoanilino)-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol
CID 59265249
4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-2,6-ditert-butylphenol
CID 58031325
4-N-[(3,5-ditert-butyl-4-methylphenyl)methyl]-4-N-(4-methylpentan-2-yl)-1-N-[4-(2,4,4-trimethylpentyl)phenyl]benzene-1,4-diamine
CID 71188108
bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)
CID 160724061
2-tert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]-6-methylphenol;2,6-ditert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]phenol
CID 158531711
2-[[4-benzyl-N-(4-methylpentan-2-yl)anilino]methyl]-6-tert-butyl-4-methylphenol
CID 58150834
4-[3-[[4-[4-anilino-N-(4-methylpentan-2-yl)anilino]-6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]-2,6-ditert-butylphenol
CID 122584882
2-tert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]-4-prop-1-en-2-ylphenol
CID 89345184
4-[3-[[4,6-bis[4-anilino-N-(4-methylpentan-2-yl)anilino]-1,3,5-triazin-2-yl]oxy]propyl]-2,6-ditert-butylphenol
CID 118094946
4-[[4-benzyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]methyl]-2-tert-butyl-6-propan-2-ylphenol;4-[[4-benzyl-N-(4-methylpentan-2-yl)anilino]methyl]-2,6-ditert-butylphenol;4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]anilino]methyl]-2,6-ditert-butylphenol;4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]methyl]-2-tert-butyl-6-propan-2-ylphenol;2,6-ditert-butyl-4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
CID 157129217
4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918
2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
CID 123144880

Frequently Asked Questions

What is the IUPAC name of 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol?
The IUPAC name of 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol (CID 59265226) is 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol.
What is the SMILES notation for 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol?
The canonical SMILES for 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol is Cc1cc(CN(c2ccc(Nc3ccccc3)cc2)C(C)CC(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol?
The InChIKey is LURRPJYBXDPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-21(2)17-23(4)32(20-24-18-22(3)29(33)28(19-24)30(5,6)7)27-15-13-26(14-16-27)31-25-11-9-8-10-12-25/h8-16,18-19,21,23,31,33H,17,20H2,1-7H3.
What are the key properties of 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol?
4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol has a molecular weight of 444.66 g/mol, XLogP of 8.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol is sourced from PubChem (CID 59265226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).