[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium

C21H22ClN2O2+ — CID 7228193

IUPAC[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3/p+1
InChIKeyWQKKJLNOWMZBOW-UHFFFAOYSA-O
MW369.87 g/mol
LogP3.59
Rot. Bonds8

About [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium (PubChem CID 7228193) has the molecular formula C21H22ClN2O2+ and a molecular weight of 369.87 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
PubChem CID7228193
Molecular FormulaC21H22ClN2O2+
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC Name[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3/p+1
InChIKeyWQKKJLNOWMZBOW-UHFFFAOYSA-O
XLogP3.59
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium
CID 2222652
2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
CID 47042624
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
CID 7597481
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
CID 7228232
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride
CID 44665781
N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 118717606
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium (CID 7228193) is [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium is COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium?
The InChIKey is WQKKJLNOWMZBOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3/p+1.
What are the key properties of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium?
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium has a molecular weight of 369.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 7228193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).