[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol

C21H23N3O2 — CID 134275040

IUPAC[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-21(25)18-10-8-17(9-11-18)14-24(15-19-6-2-4-12-22-19)16-20-7-3-5-13-23-20/h2-13,21,25H,14-16H2,1H3
InChIKeyGNPOMYYTTWPXLB-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds8

About [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol

[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol (PubChem CID 134275040) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol.

Molecular Properties

Compound Name[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol
PubChem CID134275040
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-21(25)18-10-8-17(9-11-18)14-24(15-19-6-2-4-12-22-19)16-20-7-3-5-13-23-20/h2-13,21,25H,14-16H2,1H3
InChIKeyGNPOMYYTTWPXLB-UHFFFAOYSA-N
XLogP3.32
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[6-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]heptan-2-yl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;cyclopropane;ethene
CID 142257047
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
iron(2+);propan-2-ol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;diisothiocyanate
CID 139136103
CID 59434890
CID 59434890
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
methyl 2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
CID 175725105
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
1-[5-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 10312778

Frequently Asked Questions

What is the IUPAC name of [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol?
The IUPAC name of [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol (CID 134275040) is [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol.
What is the SMILES notation for [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol?
The canonical SMILES for [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol is COC(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol?
The InChIKey is GNPOMYYTTWPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-21(25)18-10-8-17(9-11-18)14-24(15-19-6-2-4-12-22-19)16-20-7-3-5-13-23-20/h2-13,21,25H,14-16H2,1H3.
What are the key properties of [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol?
[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol has a molecular weight of 349.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol is sourced from PubChem (CID 134275040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).