2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol

C22H32N2O2 — CID 15906156

IUPAC2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CN(C)CCN(C)Cc2cc(C)c(C)cc2O)cc1C
InChIInChI=1S/C22H32N2O2/c1-15-9-19(21(25)11-17(15)3)13-23(5)7-8-24(6)14-20-10-16(2)18(4)12-22(20)26/h9-12,25-26H,7-8,13-14H2,1-6H3
InChIKeyCIOSMDVHGWMYGA-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.90
Rot. Bonds7

About 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol

2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol (PubChem CID 15906156) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
PubChem CID15906156
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CN(C)CCN(C)Cc2cc(C)c(C)cc2O)cc1C
InChIInChI=1S/C22H32N2O2/c1-15-9-19(21(25)11-17(15)3)13-23(5)7-8-24(6)14-20-10-16(2)18(4)12-22(20)26/h9-12,25-26H,7-8,13-14H2,1-6H3
InChIKeyCIOSMDVHGWMYGA-UHFFFAOYSA-N
XLogP3.90
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol with MolForge

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Related Compounds

4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
2-[(dibenzylamino)methyl]-4,5-dimethylphenol
CID 71582739
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
CID 15769042
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]butanoic acid
CID 114078387
3-(2-hydroxy-4,5-dimethylphenyl)propanal
CID 117277791
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol (CID 15906156) is 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol is Cc1cc(O)c(CN(C)CCN(C)Cc2cc(C)c(C)cc2O)cc1C.
What is the InChIKey of 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol?
The InChIKey is CIOSMDVHGWMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15-9-19(21(25)11-17(15)3)13-23(5)7-8-24(6)14-20-10-16(2)18(4)12-22(20)26/h9-12,25-26H,7-8,13-14H2,1-6H3.
What are the key properties of 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol?
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol has a molecular weight of 356.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol is sourced from PubChem (CID 15906156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).