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

C12H19BrN2Pt — CID 54713754

IUPACbromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESBr[Pt+].CN(C)Cc1[c-]c(CN(C)C)ccc1
InChIInChI=1S/C12H19N2.BrH.Pt/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
InChIKeyJBFQOUGAHDOVBM-UHFFFAOYSA-M
MW466.28 g/mol
LogP2.45
Rot. Bonds4

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

bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (PubChem CID 54713754) has the molecular formula C12H19BrN2Pt and a molecular weight of 466.28 g/mol. Its IUPAC name is bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Namebromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
PubChem CID54713754
Molecular FormulaC12H19BrN2Pt
Molecular Weight466.28 g/mol
Exact Mass465.04
IUPAC Namebromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
SMILESBr[Pt+].CN(C)Cc1[c-]c(CN(C)C)ccc1
InChIInChI=1S/C12H19N2.BrH.Pt/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
InChIKeyJBFQOUGAHDOVBM-UHFFFAOYSA-M
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 52.45
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

chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
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-(1H-naphthalen-1-id-2-yl)methanamine
CID 54682191
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
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016

Frequently Asked Questions

What is the IUPAC name of bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine (CID 54713754) is bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is Br[Pt+].CN(C)Cc1[c-]c(CN(C)C)ccc1.
What is the InChIKey of bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
The InChIKey is JBFQOUGAHDOVBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N2.BrH.Pt/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 bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine?
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine has a molecular weight of 466.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54713754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).