chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol

C30H33ClNOPPd — CID 15971141

IUPACchloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol
SMILESC[C@@H](N)c1c[c-]cc2ccccc12.Cl[Pd+].O[C@H]1CCCC[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OP.C12H12N.ClH.Pd/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;;/h1-6,9-12,17-19H,7-8,13-14H2;2-3,5-9H,13H2,1H3;1H;/q;-1;;+2/p-1/t17-,18-;9-;;/m01../s1
InChIKeyKCWHXOFOPQZSSJ-BCABAJGJSA-M
MW596.45 g/mol
LogP6.77
Rot. Bonds4

About chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol

chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol (PubChem CID 15971141) has the molecular formula C30H33ClNOPPd and a molecular weight of 596.45 g/mol. Its IUPAC name is chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol.

Molecular Properties

Compound Namechloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol
PubChem CID15971141
Molecular FormulaC30H33ClNOPPd
Molecular Weight596.45 g/mol
Exact Mass595.10
IUPAC Namechloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol
SMILESC[C@@H](N)c1c[c-]cc2ccccc12.Cl[Pd+].O[C@H]1CCCC[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OP.C12H12N.ClH.Pd/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;;/h1-6,9-12,17-19H,7-8,13-14H2;2-3,5-9H,13H2,1H3;1H;/q;-1;;+2/p-1/t17-,18-;9-;;/m01../s1
InChIKeyKCWHXOFOPQZSSJ-BCABAJGJSA-M
XLogP6.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.45
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol
CID 10908108
chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine;trans-(1R,2R)-2-diphenylphosphanylcyclohexan-1-ol
CID 11082548
benzyl-cyclohexyl-phenylphosphane;chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine
CID 11767135
chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1R,2R)-2-diphenylphosphanylcyclohexan-1-ol
CID 15973001
benzyl-cyclohexyl-phenylphosphane;chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine
CID 15977403
(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol
CID 23628748
CID 23628823
CID 23628823
chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol
CID 54687357
benzyl-cyclohexyl-phenylphosphane;chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine
CID 54688218
chloropalladium(1+);(1R)-1-(2H-naphthalen-2-id-1-yl)ethanamine;trans-(1R,2R)-2-diphenylphosphanylcyclohexan-1-ol
CID 54698132

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol?
The IUPAC name of chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol (CID 15971141) is chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol.
What is the SMILES notation for chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol?
The canonical SMILES for chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol is C[C@@H](N)c1c[c-]cc2ccccc12.Cl[Pd+].O[C@H]1CCCC[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol?
The InChIKey is KCWHXOFOPQZSSJ-BCABAJGJSA-M. The full InChI is InChI=1S/C18H21OP.C12H12N.ClH.Pd/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;;/h1-6,9-12,17-19H,7-8,13-14H2;2-3,5-9H,13H2,1H3;1H;/q;-1;;+2/p-1/t17-,18-;9-;;/m01../s1.
What are the key properties of chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol?
chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol has a molecular weight of 596.45 g/mol, XLogP of 6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);(1R)-1-(3H-naphthalen-3-id-1-yl)ethanamine;trans-(1S,2S)-2-diphenylphosphanylcyclohexan-1-ol is sourced from PubChem (CID 15971141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).