N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine

C13H22AsN — CID 3045786

IUPACN-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine
SMILESCCN(CC)[As](CC)c1ccccc1C
InChIInChI=1S/C13H22AsN/c1-5-14(15(6-2)7-3)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyLHXIUEUWHQRSNA-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine

N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine (PubChem CID 3045786) has the molecular formula C13H22AsN and a molecular weight of 267.25 g/mol. Its IUPAC name is N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine
PubChem CID3045786
Molecular FormulaC13H22AsN
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine
SMILESCCN(CC)[As](CC)c1ccccc1C
InChIInChI=1S/C13H22AsN/c1-5-14(15(6-2)7-3)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyLHXIUEUWHQRSNA-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine?
The IUPAC name of N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine (CID 3045786) is N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine?
The canonical SMILES for N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine is CCN(CC)[As](CC)c1ccccc1C.
What is the InChIKey of N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine?
The InChIKey is LHXIUEUWHQRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22AsN/c1-5-14(15(6-2)7-3)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine?
N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine has a molecular weight of 267.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine is sourced from PubChem (CID 3045786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).