PV3

1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine

Created:	2022-05-31
Last modified:	2022-09-14

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1 entries where PV3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

2D diagram of PV3

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Chemical Component Summary
Name	1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine
Systematic Name (OpenEye OEToolkits)	~{N}-[[2-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-yl-methanamine
Formula	C₂₀ H₁₉ Cl N₂ O
Molecular Weight	338.831
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)COc1ccccc1CNCc1ccncc1
SMILES	CACTVS	3.385	Clc1cccc(COc2ccccc2CNCc3ccncc3)c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl
Canonical SMILES	CACTVS	3.385	Clc1cccc(COc2ccccc2CNCc3ccncc3)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl
InChI	InChI	1.03	InChI=1S/C20H19ClN2O/c21-19-6-3-4-17(12-19)15-24-20-7-2-1-5-18(20)14-23-13-16-8-10-22-11-9-16/h1-12,23H,13-15H2
InChIKey	InChI	1.03	YRYYIHISROZCQD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49935821

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