2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride

C20H26Cl2N2O2Pt — CID 25192413

IUPAC2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
SMILESOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C20H26N2O2.2ClH.Pt/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2;2*1H;/q;;;+2/p-2/t17-,18-;;;/m1.../s1
InChIKeyJWBMIDTYNBHECJ-JCBOYQEUSA-L
MW592.42 g/mol
LogP-2.71
Rot. Bonds6

About 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride

2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride (PubChem CID 25192413) has the molecular formula C20H26Cl2N2O2Pt and a molecular weight of 592.42 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
PubChem CID25192413
Molecular FormulaC20H26Cl2N2O2Pt
Molecular Weight592.42 g/mol
Exact Mass591.10
IUPAC Name2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
SMILESOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C20H26N2O2.2ClH.Pt/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2;2*1H;/q;;;+2/p-2/t17-,18-;;;/m1.../s1
InChIKeyJWBMIDTYNBHECJ-JCBOYQEUSA-L
XLogP-2.71
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.42
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride with MolForge

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Related Compounds

2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride?
The IUPAC name of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride (CID 25192413) is 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride.
What is the SMILES notation for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride?
The canonical SMILES for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride is Oc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride?
The InChIKey is JWBMIDTYNBHECJ-JCBOYQEUSA-L. The full InChI is InChI=1S/C20H26N2O2.2ClH.Pt/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2;2*1H;/q;;;+2/p-2/t17-,18-;;;/m1.../s1.
What are the key properties of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride?
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride has a molecular weight of 592.42 g/mol, XLogP of -2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride is sourced from PubChem (CID 25192413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).