2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol

C21H30N2O2 — CID 163931349

IUPAC2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
SMILESCCN(C)Cc1cc(Cc2ccc(O)c(CN(C)CC)c2)ccc1O
InChIInChI=1S/C21H30N2O2/c1-5-22(3)14-18-12-16(7-9-20(18)24)11-17-8-10-21(25)19(13-17)15-23(4)6-2/h7-10,12-13,24-25H,5-6,11,14-15H2,1-4H3
InChIKeyKIZLDPXSMNZAAE-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.59
Rot. Bonds8

About 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol

2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol (PubChem CID 163931349) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
PubChem CID163931349
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
SMILESCCN(C)Cc1cc(Cc2ccc(O)c(CN(C)CC)c2)ccc1O
InChIInChI=1S/C21H30N2O2/c1-5-22(3)14-18-12-16(7-9-20(18)24)11-17-8-10-21(25)19(13-17)15-23(4)6-2/h7-10,12-13,24-25H,5-6,11,14-15H2,1-4H3
InChIKeyKIZLDPXSMNZAAE-UHFFFAOYSA-N
XLogP3.59
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol with MolForge

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Related Compounds

2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82977713
2-[(5-butyl-2-hydroxyphenyl)methyl-methylamino]acetic acid
CID 19814547
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166
2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
CID 127011573
4-[[3-[(dimethylamino)methyl]-4-hydroxyphenyl]methyl]thiophene-2-sulfonamide
CID 70352287
4-[(dimethylamino)methyl]-2-octylphenol
CID 70503511
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
sodium 2-[(5-heptyl-2-hydroxyphenyl)methyl-methylamino]acetate
CID 23697112
2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol
CID 174539786
2-(2-diethoxyphosphorylethyl)-4-[(4-ethylphenyl)methyl]phenol
CID 86620240

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol (CID 163931349) is 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol is CCN(C)Cc1cc(Cc2ccc(O)c(CN(C)CC)c2)ccc1O.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol?
The InChIKey is KIZLDPXSMNZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-22(3)14-18-12-16(7-9-20(18)24)11-17-8-10-21(25)19(13-17)15-23(4)6-2/h7-10,12-13,24-25H,5-6,11,14-15H2,1-4H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol?
2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol has a molecular weight of 342.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 163931349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).