N-butyl-3-(2-ethoxyethoxy)aniline

C14H23NO2 — CID 54801731

IUPACN-butyl-3-(2-ethoxyethoxy)aniline
SMILESCCCCNc1cccc(OCCOCC)c1
InChIInChI=1S/C14H23NO2/c1-3-5-9-15-13-7-6-8-14(12-13)17-11-10-16-4-2/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyTXRQTGNYIYNCBH-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.31
Rot. Bonds9

About N-butyl-3-(2-ethoxyethoxy)aniline

N-butyl-3-(2-ethoxyethoxy)aniline (PubChem CID 54801731) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-butyl-3-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound NameN-butyl-3-(2-ethoxyethoxy)aniline
PubChem CID54801731
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-butyl-3-(2-ethoxyethoxy)aniline
SMILESCCCCNc1cccc(OCCOCC)c1
InChIInChI=1S/C14H23NO2/c1-3-5-9-15-13-7-6-8-14(12-13)17-11-10-16-4-2/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyTXRQTGNYIYNCBH-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-octylaniline
CID 54800685
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-ethoxyethoxy)aniline?
The IUPAC name of N-butyl-3-(2-ethoxyethoxy)aniline (CID 54801731) is N-butyl-3-(2-ethoxyethoxy)aniline.
What is the SMILES notation for N-butyl-3-(2-ethoxyethoxy)aniline?
The canonical SMILES for N-butyl-3-(2-ethoxyethoxy)aniline is CCCCNc1cccc(OCCOCC)c1.
What is the InChIKey of N-butyl-3-(2-ethoxyethoxy)aniline?
The InChIKey is TXRQTGNYIYNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-9-15-13-7-6-8-14(12-13)17-11-10-16-4-2/h6-8,12,15H,3-5,9-11H2,1-2H3.
What are the key properties of N-butyl-3-(2-ethoxyethoxy)aniline?
N-butyl-3-(2-ethoxyethoxy)aniline has a molecular weight of 237.34 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 54801731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).