[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride

C21H21Cl3N2O2 — CID 44664783

IUPAC[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C21H20Cl2N2O2.ClH/c1-26-21-11-15(12-24-13-16-5-2-3-10-25-16)8-9-20(21)27-14-17-18(22)6-4-7-19(17)23;/h2-11,24H,12-14H2,1H3;1H
InChIKeyQWRFXOQPUMHTPM-UHFFFAOYSA-N
MW439.77 g/mol
LogP1.24
Rot. Bonds8

About [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride

[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride (PubChem CID 44664783) has the molecular formula C21H21Cl3N2O2 and a molecular weight of 439.77 g/mol. Its IUPAC name is [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Name[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
PubChem CID44664783
Molecular FormulaC21H21Cl3N2O2
Molecular Weight439.77 g/mol
Exact Mass438.07
IUPAC Name[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C21H20Cl2N2O2.ClH/c1-26-21-11-15(12-24-13-16-5-2-3-10-25-16)8-9-20(21)27-14-17-18(22)6-4-7-19(17)23;/h2-11,24H,12-14H2,1H3;1H
InChIKeyQWRFXOQPUMHTPM-UHFFFAOYSA-N
XLogP1.24
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7228263
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(methylazaniumyl)propyl]azanium dichloride
CID 44666467
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 1273419
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7304578
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 23988664
3-chloro-2-[(4-ethyl-2-methoxyphenoxy)methyl]aniline
CID 107663983
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332696
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17293841
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 23792149

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride?
The IUPAC name of [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride (CID 44664783) is [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride.
What is the SMILES notation for [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride?
The canonical SMILES for [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride is COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1c(Cl)cccc1Cl.[Cl-].
What is the InChIKey of [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride?
The InChIKey is QWRFXOQPUMHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2.ClH/c1-26-21-11-15(12-24-13-16-5-2-3-10-25-16)8-9-20(21)27-14-17-18(22)6-4-7-19(17)23;/h2-11,24H,12-14H2,1H3;1H.
What are the key properties of [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride?
[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride has a molecular weight of 439.77 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride is sourced from PubChem (CID 44664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).