zinc;tris((2S)-2-amino-2-phenylethanol);dichloride

C24H33Cl2N3O3Zn — CID 175904832

IUPACzinc;tris((2S)-2-amino-2-phenylethanol);dichloride
SMILESN[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/3C8H11NO.2ClH.Zn/c3*9-8(6-10)7-4-2-1-3-5-7;;;/h3*1-5,8,10H,6,9H2;2*1H;/q;;;;;+2/p-2/t3*8-;;;/m111.../s1
InChIKeyMYANWDFTDXFPOD-AQTDJUSASA-L
MW547.84 g/mol
LogP-3.96
Rot. Bonds6

About zinc;tris((2S)-2-amino-2-phenylethanol);dichloride

zinc;tris((2S)-2-amino-2-phenylethanol);dichloride (PubChem CID 175904832) has the molecular formula C24H33Cl2N3O3Zn and a molecular weight of 547.84 g/mol. Its IUPAC name is zinc;tris((2S)-2-amino-2-phenylethanol);dichloride.

Molecular Properties

Compound Namezinc;tris((2S)-2-amino-2-phenylethanol);dichloride
PubChem CID175904832
Molecular FormulaC24H33Cl2N3O3Zn
Molecular Weight547.84 g/mol
Exact Mass545.12
IUPAC Namezinc;tris((2S)-2-amino-2-phenylethanol);dichloride
SMILESN[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/3C8H11NO.2ClH.Zn/c3*9-8(6-10)7-4-2-1-3-5-7;;;/h3*1-5,8,10H,6,9H2;2*1H;/q;;;;;+2/p-2/t3*8-;;;/m111.../s1
InChIKeyMYANWDFTDXFPOD-AQTDJUSASA-L
XLogP-3.96
TPSA138.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.84
LogP ≤ 5-3.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
2-amino-2-pyridin-3-ylethanol
CID 2734590
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
CID 158097033
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid
CID 55278123
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243

Frequently Asked Questions

What is the IUPAC name of zinc;tris((2S)-2-amino-2-phenylethanol);dichloride?
The IUPAC name of zinc;tris((2S)-2-amino-2-phenylethanol);dichloride (CID 175904832) is zinc;tris((2S)-2-amino-2-phenylethanol);dichloride.
What is the SMILES notation for zinc;tris((2S)-2-amino-2-phenylethanol);dichloride?
The canonical SMILES for zinc;tris((2S)-2-amino-2-phenylethanol);dichloride is N[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.N[C@H](CO)c1ccccc1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;tris((2S)-2-amino-2-phenylethanol);dichloride?
The InChIKey is MYANWDFTDXFPOD-AQTDJUSASA-L. The full InChI is InChI=1S/3C8H11NO.2ClH.Zn/c3*9-8(6-10)7-4-2-1-3-5-7;;;/h3*1-5,8,10H,6,9H2;2*1H;/q;;;;;+2/p-2/t3*8-;;;/m111.../s1.
What are the key properties of zinc;tris((2S)-2-amino-2-phenylethanol);dichloride?
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride has a molecular weight of 547.84 g/mol, XLogP of -3.96, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tris((2S)-2-amino-2-phenylethanol);dichloride is sourced from PubChem (CID 175904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).