4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol

C22H42N4O — CID 177498883

IUPAC4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1cc(C(C)(C)C)cc(CN(C)CCN(C)C)c1O
InChIInChI=1S/C22H42N4O/c1-22(2,3)20-14-18(16-25(8)12-10-23(4)5)21(27)19(15-20)17-26(9)13-11-24(6)7/h14-15,27H,10-13,16-17H2,1-9H3
InChIKeyYDCQWZZOVDEMON-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.68
Rot. Bonds10

About 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol

4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (PubChem CID 177498883) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
PubChem CID177498883
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1cc(C(C)(C)C)cc(CN(C)CCN(C)C)c1O
InChIInChI=1S/C22H42N4O/c1-22(2,3)20-14-18(16-25(8)12-10-23(4)5)21(27)19(15-20)17-26(9)13-11-24(6)7/h14-15,27H,10-13,16-17H2,1-9H3
InChIKeyYDCQWZZOVDEMON-UHFFFAOYSA-N
XLogP2.68
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
CID 177492098
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
CID 15769042
CID 172523914
CID 172523914
N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 59495624
2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
CID 30981664
zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate
CID 24938861
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
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate;bis(propan-2-olate);titanium(4+)
CID 139133900
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-3-[(dimethylamino)methyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-[(dimethylamino)methyl]phenol
CID 136912073
3,5-ditert-butyl-2-[[(2,4-ditert-butyl-6-hydroxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenol
CID 100954422
1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 14934129
2,4-ditert-butyl-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]ethyl-methylamino]methyl]phenol
CID 137124059

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The IUPAC name of 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (CID 177498883) is 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The canonical SMILES for 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is CN(C)CCN(C)Cc1cc(C(C)(C)C)cc(CN(C)CCN(C)C)c1O.
What is the InChIKey of 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The InChIKey is YDCQWZZOVDEMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-22(2,3)20-14-18(16-25(8)12-10-23(4)5)21(27)19(15-20)17-26(9)13-11-24(6)7/h14-15,27H,10-13,16-17H2,1-9H3.
What are the key properties of 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol has a molecular weight of 378.61 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 177498883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).