2-ethoxy-4-pentoxyaniline

C13H21NO2 — CID 63678215

IUPAC2-ethoxy-4-pentoxyaniline
SMILESCCCCCOc1ccc(N)c(OCC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-6-9-16-11-7-8-12(14)13(10-11)15-4-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyQIORLUMLCQWUMF-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.24
Rot. Bonds7

About 2-ethoxy-4-pentoxyaniline

2-ethoxy-4-pentoxyaniline (PubChem CID 63678215) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethoxy-4-pentoxyaniline.

Molecular Properties

Compound Name2-ethoxy-4-pentoxyaniline
PubChem CID63678215
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethoxy-4-pentoxyaniline
SMILESCCCCCOc1ccc(N)c(OCC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-6-9-16-11-7-8-12(14)13(10-11)15-4-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyQIORLUMLCQWUMF-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-propoxyaniline
CID 63677806
4-octoxy-2-propoxyaniline
CID 63676334
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
4-heptoxybenzene-1,2-diamine
CID 54795786
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-methyl-4-nonoxyaniline
CID 43128997
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-methoxy-5-octoxyaniline
CID 103201140

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-pentoxyaniline?
The IUPAC name of 2-ethoxy-4-pentoxyaniline (CID 63678215) is 2-ethoxy-4-pentoxyaniline.
What is the SMILES notation for 2-ethoxy-4-pentoxyaniline?
The canonical SMILES for 2-ethoxy-4-pentoxyaniline is CCCCCOc1ccc(N)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-pentoxyaniline?
The InChIKey is QIORLUMLCQWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-6-9-16-11-7-8-12(14)13(10-11)15-4-2/h7-8,10H,3-6,9,14H2,1-2H3.
What are the key properties of 2-ethoxy-4-pentoxyaniline?
2-ethoxy-4-pentoxyaniline has a molecular weight of 223.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-pentoxyaniline is sourced from PubChem (CID 63678215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).