chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine

C12H19ClN2Pd — CID 54725089

IUPACchloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.Cl[Pd+]
InChIInChI=1S/C12H19N2.ClH.Pd/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h5-7H,9-10H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyFBBDOAKRRSOUCT-UHFFFAOYSA-M
MW333.17 g/mol
LogP2.30
Rot. Bonds4

About chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine

chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (PubChem CID 54725089) has the molecular formula C12H19ClN2Pd and a molecular weight of 333.17 g/mol. Its IUPAC name is chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Namechloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
PubChem CID54725089
Molecular FormulaC12H19ClN2Pd
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Namechloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.Cl[Pd+]
InChIInChI=1S/C12H19N2.ClH.Pd/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h5-7H,9-10H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyFBBDOAKRRSOUCT-UHFFFAOYSA-M
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
CID 54682191
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)
CID 54719324
chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline
CID 139241603
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
CID 54725612
tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
CID 6397520
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)
CID 45140031
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;(8E)-3,14-dioxa-18-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene-2,15-dione;platinum(2+);tetrafluoroborate
CID 11170222
lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
CID 177470513

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (CID 54725089) is chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is CN(C)Cc1[c-]c(CN(C)C)ccc1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The InChIKey is FBBDOAKRRSOUCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N2.ClH.Pd/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h5-7H,9-10H2,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine has a molecular weight of 333.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54725089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).