N-dimethylalumanyl-N-phenylaniline

C14H16AlN — CID 16714392

IUPACN-dimethylalumanyl-N-phenylaniline
SMILESC[Al](C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N.2CH3.Al/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1
InChIKeyMKOMMIOXOPGSTO-UHFFFAOYSA-N
MW225.27 g/mol
LogP4.08
Rot. Bonds3

About N-dimethylalumanyl-N-phenylaniline

N-dimethylalumanyl-N-phenylaniline (PubChem CID 16714392) has the molecular formula C14H16AlN and a molecular weight of 225.27 g/mol. Its IUPAC name is N-dimethylalumanyl-N-phenylaniline.

Molecular Properties

Compound NameN-dimethylalumanyl-N-phenylaniline
PubChem CID16714392
Molecular FormulaC14H16AlN
Molecular Weight225.27 g/mol
Exact Mass225.11
IUPAC NameN-dimethylalumanyl-N-phenylaniline
SMILESC[Al](C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N.2CH3.Al/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1
InChIKeyMKOMMIOXOPGSTO-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-dimethylalumanyl-N-phenylaniline 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-dimethylalumanyl-N-phenylaniline?
The IUPAC name of N-dimethylalumanyl-N-phenylaniline (CID 16714392) is N-dimethylalumanyl-N-phenylaniline.
What is the SMILES notation for N-dimethylalumanyl-N-phenylaniline?
The canonical SMILES for N-dimethylalumanyl-N-phenylaniline is C[Al](C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-dimethylalumanyl-N-phenylaniline?
The InChIKey is MKOMMIOXOPGSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.2CH3.Al/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1.
What are the key properties of N-dimethylalumanyl-N-phenylaniline?
N-dimethylalumanyl-N-phenylaniline has a molecular weight of 225.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylalumanyl-N-phenylaniline is sourced from PubChem (CID 16714392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).