A5V

(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

Created:	2015-01-07
Last modified:	2015-05-27

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1 entries where A5V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of A5V

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Chemical Component Summary
Name	(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
Systematic Name (OpenEye OEToolkits)	(1S)-3-azanyl-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
Formula	C₁₆ H₂₅ N O₂
Molecular Weight	263.375
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cc(ccc1)C(O)CCN)CC2CCCCC2
SMILES	CACTVS	3.385	NCC[CH](O)c1cccc(OCC2CCCCC2)c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)OCC2CCCCC2)C(CCN)O
Canonical SMILES	CACTVS	3.385	NCC[C@H](O)c1cccc(OCC2CCCCC2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O
InChI	InChI	1.03	InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m0/s1
InChIKey	InChI	1.03	WJIGGYYSZBWCGC-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	58027659

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