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

C9H12AuN — CID 12620686

IUPACN,N-dimethyl-1-phenylmethanamine;gold(1+)
SMILESCN(C)Cc1[c-]cccc1.[Au+]
InChIInChI=1S/C9H12N.Au/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyLXMSSLXOPJHYMM-UHFFFAOYSA-N
MW331.17 g/mol
LogP1.55
Rot. Bonds2

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

N,N-dimethyl-1-phenylmethanamine;gold(1+) (PubChem CID 12620686) has the molecular formula C9H12AuN and a molecular weight of 331.17 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;gold(1+).

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;gold(1+)
PubChem CID12620686
Molecular FormulaC9H12AuN
Molecular Weight331.17 g/mol
Exact Mass331.06
IUPAC NameN,N-dimethyl-1-phenylmethanamine;gold(1+)
SMILESCN(C)Cc1[c-]cccc1.[Au+]
InChIInChI=1S/C9H12N.Au/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyLXMSSLXOPJHYMM-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-phenylmethanamine;gold(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;gold(1+)?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;gold(1+) (CID 12620686) is N,N-dimethyl-1-phenylmethanamine;gold(1+).
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;gold(1+)?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;gold(1+) is CN(C)Cc1[c-]cccc1.[Au+].
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;gold(1+)?
The InChIKey is LXMSSLXOPJHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Au/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;gold(1+)?
N,N-dimethyl-1-phenylmethanamine;gold(1+) has a molecular weight of 331.17 g/mol, XLogP of 1.55, 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(1+) is sourced from PubChem (CID 12620686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).