JW9

4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol

Created:	2021-09-30
Last modified:	2021-10-06

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1 entries where JW9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	17

2D diagram of JW9

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Chemical Component Summary
Name	4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
Systematic Name (OpenEye OEToolkits)	4-[[methyl-[(1~{R})-1-naphthalen-1-ylethyl]amino]methyl]phenol
Formula	C₂₀ H₂₁ N O
Molecular Weight	291.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(CN(C)C(C)c2cccc3ccccc32)cc1
SMILES	CACTVS	3.385	C[CH](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O
Canonical SMILES	CACTVS	3.385	C[C@@H](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKey	InChI	1.03	QFTKMDZKABQMHI-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	156612931

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