2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol

C24H30N4O2 — CID 102443107

IUPAC2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESCOCCN(Cc1ccccn1)Cc1cc(C)cc(CNCc2ccccn2)c1O
InChIInChI=1S/C24H30N4O2/c1-19-13-20(15-25-16-22-7-3-5-9-26-22)24(29)21(14-19)17-28(11-12-30-2)18-23-8-4-6-10-27-23/h3-10,13-14,25,29H,11-12,15-18H2,1-2H3
InChIKeyQMAPWVCGUXXKQC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.43
Rot. Bonds11

About 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol

2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol (PubChem CID 102443107) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
PubChem CID102443107
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESCOCCN(Cc1ccccn1)Cc1cc(C)cc(CNCc2ccccn2)c1O
InChIInChI=1S/C24H30N4O2/c1-19-13-20(15-25-16-22-7-3-5-9-26-22)24(29)21(14-19)17-28(11-12-30-2)18-23-8-4-6-10-27-23/h3-10,13-14,25,29H,11-12,15-18H2,1-2H3
InChIKeyQMAPWVCGUXXKQC-UHFFFAOYSA-N
XLogP3.43
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 91238369
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol;bis(ethane-1,1-diol);manganese
CID 153499818
2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol;methanidylbenzene;zirconium(2+)
CID 59077179
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-propylphenol;ethane
CID 157384836
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954040
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
CID 122555202
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62554933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol (CID 102443107) is 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol is COCCN(Cc1ccccn1)Cc1cc(C)cc(CNCc2ccccn2)c1O.
What is the InChIKey of 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The InChIKey is QMAPWVCGUXXKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-13-20(15-25-16-22-7-3-5-9-26-22)24(29)21(14-19)17-28(11-12-30-2)18-23-8-4-6-10-27-23/h3-10,13-14,25,29H,11-12,15-18H2,1-2H3.
What are the key properties of 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol?
2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol has a molecular weight of 406.53 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 102443107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).