N-(2-butoxyethyl)-N-ethylaniline

C14H23NO — CID 3085985

IUPACN-(2-butoxyethyl)-N-ethylaniline
SMILESCCCCOCCN(CC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-5-12-16-13-11-15(4-2)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
InChIKeyVUQKTZRVWWQWCD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.33
Rot. Bonds8

About N-(2-butoxyethyl)-N-ethylaniline

N-(2-butoxyethyl)-N-ethylaniline (PubChem CID 3085985) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N-ethylaniline
PubChem CID3085985
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-butoxyethyl)-N-ethylaniline
SMILESCCCCOCCN(CC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-5-12-16-13-11-15(4-2)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
InChIKeyVUQKTZRVWWQWCD-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N-ethylaniline?
The IUPAC name of N-(2-butoxyethyl)-N-ethylaniline (CID 3085985) is N-(2-butoxyethyl)-N-ethylaniline.
What is the SMILES notation for N-(2-butoxyethyl)-N-ethylaniline?
The canonical SMILES for N-(2-butoxyethyl)-N-ethylaniline is CCCCOCCN(CC)c1ccccc1.
What is the InChIKey of N-(2-butoxyethyl)-N-ethylaniline?
The InChIKey is VUQKTZRVWWQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-12-16-13-11-15(4-2)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-N-ethylaniline?
N-(2-butoxyethyl)-N-ethylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N-ethylaniline is sourced from PubChem (CID 3085985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).