4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol

C30H48N2O2 — CID 177492098

IUPAC4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
SMILESCCc1cc(C(C)(C)C)cc(CN(C)CCN(C)Cc2cc(C(C)(C)C)cc(CC)c2O)c1O
InChIInChI=1S/C30H48N2O2/c1-11-21-15-25(29(3,4)5)17-23(27(21)33)19-31(9)13-14-32(10)20-24-18-26(30(6,7)8)16-22(12-2)28(24)34/h15-18,33-34H,11-14,19-20H2,1-10H3
InChIKeyAPRCEOHQDWMGAP-UHFFFAOYSA-N
MW468.73 g/mol
LogP6.38
Rot. Bonds9

About 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol

4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol (PubChem CID 177492098) has the molecular formula C30H48N2O2 and a molecular weight of 468.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
PubChem CID177492098
Molecular FormulaC30H48N2O2
Molecular Weight468.73 g/mol
Exact Mass468.37
IUPAC Name4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
SMILESCCc1cc(C(C)(C)C)cc(CN(C)CCN(C)Cc2cc(C(C)(C)C)cc(CC)c2O)c1O
InChIInChI=1S/C30H48N2O2/c1-11-21-15-25(29(3,4)5)17-23(27(21)33)19-31(9)13-14-32(10)20-24-18-26(30(6,7)8)16-22(12-2)28(24)34/h15-18,33-34H,11-14,19-20H2,1-10H3
InChIKeyAPRCEOHQDWMGAP-UHFFFAOYSA-N
XLogP6.38
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol with MolForge

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Related Compounds

4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 177498883
CID 172523914
CID 172523914
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
4-[1-[3,5-bis(diethylaminomethyl)-4-hydroxyphenyl]-1-[3-(diethylaminomethyl)-5-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]ethyl]-2-(diethylaminomethyl)-6-[[ethyl(methyl)amino]methyl]phenol
CID 71046573
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
CID 15769042
zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate
CID 24938861
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
4-tert-butyl-2-ethyl-6-methanimidoylphenol
CID 145026368
4-[(1S)-1-[3,5-bis(diethylaminomethyl)-4-hydroxyphenyl]-1-[3,5-bis(ethylaminomethyl)-4-hydroxyphenyl]ethyl]-2-(diethylaminomethyl)-6-ethylphenol
CID 118072282
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate;bis(propan-2-olate);titanium(4+)
CID 139133900
2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
CID 30981664
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;ethanol;titanium
CID 6850121

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol?
The IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol (CID 177492098) is 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol.
What is the SMILES notation for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol?
The canonical SMILES for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol is CCc1cc(C(C)(C)C)cc(CN(C)CCN(C)Cc2cc(C(C)(C)C)cc(CC)c2O)c1O.
What is the InChIKey of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol?
The InChIKey is APRCEOHQDWMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O2/c1-11-21-15-25(29(3,4)5)17-23(27(21)33)19-31(9)13-14-32(10)20-24-18-26(30(6,7)8)16-22(12-2)28(24)34/h15-18,33-34H,11-14,19-20H2,1-10H3.
What are the key properties of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol?
4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol has a molecular weight of 468.73 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol is sourced from PubChem (CID 177492098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).