N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride

C9H13AuCl2N+ — CID 71592559

IUPACN,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
SMILESCN(C)Cc1ccccc1.[Au+3].[Cl-].[Cl-]
InChIInChI=1S/C9H13N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-7H,8H2,1-2H3;;2*1H/q;+3;;/p-2
InChIKeyOZJJCINBEVVUPR-UHFFFAOYSA-L
MW403.08 g/mol
LogP-4.25
Rot. Bonds2

About N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride

N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride (PubChem CID 71592559) has the molecular formula C9H13AuCl2N+ and a molecular weight of 403.08 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
PubChem CID71592559
Molecular FormulaC9H13AuCl2N+
Molecular Weight403.08 g/mol
Exact Mass402.01
IUPAC NameN,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
SMILESCN(C)Cc1ccccc1.[Au+3].[Cl-].[Cl-]
InChIInChI=1S/C9H13N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-7H,8H2,1-2H3;;2*1H/q;+3;;/p-2
InChIKeyOZJJCINBEVVUPR-UHFFFAOYSA-L
XLogP-4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.08
LogP ≤ 5-4.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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benzene;N,N-dimethyl-1-phenylmethanamine;ethane
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N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N,N-dimethyl-1-phenylmethanamine;1H-pyrrole
CID 162180373
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride (CID 71592559) is N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride is CN(C)Cc1ccccc1.[Au+3].[Cl-].[Cl-].
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride?
The InChIKey is OZJJCINBEVVUPR-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-7H,8H2,1-2H3;;2*1H/q;+3;;/p-2.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride?
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride has a molecular weight of 403.08 g/mol, XLogP of -4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride is sourced from PubChem (CID 71592559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).