N-methyl-2-phenylaniline;palladium

C13H12NPd- — CID 142737599

IUPACN-methyl-2-phenylaniline;palladium
SMILESCNc1ccccc1-c1[c-]cccc1.[Pd]
InChIInChI=1S/C13H12N.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h2-7,9-10,14H,1H3;/q-1;
InChIKeyLGOGKYJBOPWTJQ-UHFFFAOYSA-N
MW288.67 g/mol
LogP3.19
Rot. Bonds2

About N-methyl-2-phenylaniline;palladium

N-methyl-2-phenylaniline;palladium (PubChem CID 142737599) has the molecular formula C13H12NPd- and a molecular weight of 288.67 g/mol. Its IUPAC name is N-methyl-2-phenylaniline;palladium.

Molecular Properties

Compound NameN-methyl-2-phenylaniline;palladium
PubChem CID142737599
Molecular FormulaC13H12NPd-
Molecular Weight288.67 g/mol
Exact Mass288.00
IUPAC NameN-methyl-2-phenylaniline;palladium
SMILESCNc1ccccc1-c1[c-]cccc1.[Pd]
InChIInChI=1S/C13H12N.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h2-7,9-10,14H,1H3;/q-1;
InChIKeyLGOGKYJBOPWTJQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-phenylaniline;palladium(2+);tritert-butylphosphanium
CID 156663337
methanesulfonic acid;N-methyl-2-phenylaniline;palladium;tritert-butylphosphanium
CID 131801533
ethane;palladium;2-phenylaniline
CID 176694795
N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
methanesulfonic acid;bis(palladium);bis(2-phenylaniline)
CID 117064808
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
1,1'-biphenyl;palladium;2-phenylaniline
CID 174222698
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;methanesulfonate;N-methyl-2-phenylaniline;palladium(2+)
CID 121237590
N-methyl-2-pyrimidin-2-ylaniline
CID 143958404
ethane;N-methyl-2-(2-phosphanylphenyl)aniline
CID 142319745

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylaniline;palladium?
The IUPAC name of N-methyl-2-phenylaniline;palladium (CID 142737599) is N-methyl-2-phenylaniline;palladium.
What is the SMILES notation for N-methyl-2-phenylaniline;palladium?
The canonical SMILES for N-methyl-2-phenylaniline;palladium is CNc1ccccc1-c1[c-]cccc1.[Pd].
What is the InChIKey of N-methyl-2-phenylaniline;palladium?
The InChIKey is LGOGKYJBOPWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h2-7,9-10,14H,1H3;/q-1;.
What are the key properties of N-methyl-2-phenylaniline;palladium?
N-methyl-2-phenylaniline;palladium has a molecular weight of 288.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylaniline;palladium is sourced from PubChem (CID 142737599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).