9X3

N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

Created:	2014-12-04
Last modified:	2015-05-13

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1 entries where 9X3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of 9X3

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Chemical Component Summary
Name	N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
Formula	C₁₃ H₂₀ N₂ O
Molecular Weight	220.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O2CCN(Cc1cc(ccc1)CNC)CC2
SMILES	CACTVS	3.385	CNCc1cccc(CN2CCOCC2)c1
SMILES	OpenEye OEToolkits	1.7.6	CNCc1cccc(c1)CN2CCOCC2
Canonical SMILES	CACTVS	3.385	CNCc1cccc(CN2CCOCC2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNCc1cccc(c1)CN2CCOCC2
InChI	InChI	1.03	InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3
InChIKey	InChI	1.03	JZMYRFZAMCXUIF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7537524

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