[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium

C22H25N2O2+ — CID 7228263

IUPAC[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-17-7-3-4-8-19(17)16-26-21-11-10-18(13-22(21)25-2)14-23-15-20-9-5-6-12-24-20/h3-13,23H,14-16H2,1-2H3/p+1
InChIKeyDXEWNZDJRHXRRK-UHFFFAOYSA-O
MW349.45 g/mol
LogP3.24
Rot. Bonds8

About [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium

[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium (PubChem CID 7228263) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
PubChem CID7228263
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-17-7-3-4-8-19(17)16-26-21-11-10-18(13-22(21)25-2)14-23-15-20-9-5-6-12-24-20/h3-13,23H,14-16H2,1-2H3/p+1
InChIKeyDXEWNZDJRHXRRK-UHFFFAOYSA-O
XLogP3.24
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44664783
1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium
CID 7458556
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639858
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine
CID 21157681
[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7304578
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719538
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720336
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium (CID 7228263) is [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium is COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1C.
What is the InChIKey of [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium?
The InChIKey is DXEWNZDJRHXRRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-17-7-3-4-8-19(17)16-26-21-11-10-18(13-22(21)25-2)14-23-15-20-9-5-6-12-24-20/h3-13,23H,14-16H2,1-2H3/p+1.
What are the key properties of [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium?
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium has a molecular weight of 349.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7228263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).