N-(2-butoxyethyl)-3-ethylaniline

C14H23NO — CID 61483073

IUPACN-(2-butoxyethyl)-3-ethylaniline
SMILESCCCCOCCNc1cccc(CC)c1
InChIInChI=1S/C14H23NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyQEOTUFPTALXLCZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds8

About N-(2-butoxyethyl)-3-ethylaniline

N-(2-butoxyethyl)-3-ethylaniline (PubChem CID 61483073) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-ethylaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-ethylaniline
PubChem CID61483073
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-butoxyethyl)-3-ethylaniline
SMILESCCCCOCCNc1cccc(CC)c1
InChIInChI=1S/C14H23NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyQEOTUFPTALXLCZ-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethylaniline
CID 123497942
CID 58064173
CID 58064173
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
N-(3-ethoxypropyl)-3-(methoxymethyl)aniline
CID 65175337

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-ethylaniline?
The IUPAC name of N-(2-butoxyethyl)-3-ethylaniline (CID 61483073) is N-(2-butoxyethyl)-3-ethylaniline.
What is the SMILES notation for N-(2-butoxyethyl)-3-ethylaniline?
The canonical SMILES for N-(2-butoxyethyl)-3-ethylaniline is CCCCOCCNc1cccc(CC)c1.
What is the InChIKey of N-(2-butoxyethyl)-3-ethylaniline?
The InChIKey is QEOTUFPTALXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-3-ethylaniline?
N-(2-butoxyethyl)-3-ethylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-ethylaniline is sourced from PubChem (CID 61483073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).