2-diphenylalumanyloxy-N,N-dimethylethanamine

C16H20AlNO — CID 16688928

IUPAC2-diphenylalumanyloxy-N,N-dimethylethanamine
SMILESCN(C)CCO[Al](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C4H10NO.Al/c2*1-2-4-6-5-3-1;1-5(2)3-4-6;/h2*1-5H;3-4H2,1-2H3;/q;;-1;+1
InChIKeyUVLLMXVBCBOBDH-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.37
Rot. Bonds6

About 2-diphenylalumanyloxy-N,N-dimethylethanamine

2-diphenylalumanyloxy-N,N-dimethylethanamine (PubChem CID 16688928) has the molecular formula C16H20AlNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-diphenylalumanyloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-diphenylalumanyloxy-N,N-dimethylethanamine
PubChem CID16688928
Molecular FormulaC16H20AlNO
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-diphenylalumanyloxy-N,N-dimethylethanamine
SMILESCN(C)CCO[Al](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C4H10NO.Al/c2*1-2-4-6-5-3-1;1-5(2)3-4-6;/h2*1-5H;3-4H2,1-2H3;/q;;-1;+1
InChIKeyUVLLMXVBCBOBDH-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylalumanyloxy-N,N-dimethylethanamine?
The IUPAC name of 2-diphenylalumanyloxy-N,N-dimethylethanamine (CID 16688928) is 2-diphenylalumanyloxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-diphenylalumanyloxy-N,N-dimethylethanamine?
The canonical SMILES for 2-diphenylalumanyloxy-N,N-dimethylethanamine is CN(C)CCO[Al](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylalumanyloxy-N,N-dimethylethanamine?
The InChIKey is UVLLMXVBCBOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C4H10NO.Al/c2*1-2-4-6-5-3-1;1-5(2)3-4-6;/h2*1-5H;3-4H2,1-2H3;/q;;-1;+1.
What are the key properties of 2-diphenylalumanyloxy-N,N-dimethylethanamine?
2-diphenylalumanyloxy-N,N-dimethylethanamine has a molecular weight of 269.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylalumanyloxy-N,N-dimethylethanamine is sourced from PubChem (CID 16688928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).