T3T

1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine

Created:	2020-12-14
Last modified:	2022-01-12

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of T3T

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Chemical Component Summary
Name	1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine
Systematic Name (OpenEye OEToolkits)	1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine
Formula	C₁₄ H₁₄ N₂ O₂
Molecular Weight	242.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1Oc2ccc(CNCc3ccccn3)cc2O1
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNCc2ccc3c(c2)OCO3
Canonical SMILES	CACTVS	3.385	C1Oc2ccc(CNCc3ccccn3)cc2O1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNCc2ccc3c(c2)OCO3
InChI	InChI	1.03	InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2
InChIKey	InChI	1.03	KZQVJMBMNZMAGV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1080494
ChEMBL	CHEMBL1340204

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