2-ethoxy-4-propoxyaniline

C11H17NO2 — CID 63677806

IUPAC2-ethoxy-4-propoxyaniline
SMILESCCCOc1ccc(N)c(OCC)c1
InChIInChI=1S/C11H17NO2/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyKHIMEGJVRHATGB-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.46
Rot. Bonds5

About 2-ethoxy-4-propoxyaniline

2-ethoxy-4-propoxyaniline (PubChem CID 63677806) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethoxy-4-propoxyaniline.

Molecular Properties

Compound Name2-ethoxy-4-propoxyaniline
PubChem CID63677806
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-ethoxy-4-propoxyaniline
SMILESCCCOc1ccc(N)c(OCC)c1
InChIInChI=1S/C11H17NO2/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyKHIMEGJVRHATGB-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-pentoxyaniline
CID 63678215
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
4-octoxy-2-propoxyaniline
CID 63676334
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propoxyaniline?
The IUPAC name of 2-ethoxy-4-propoxyaniline (CID 63677806) is 2-ethoxy-4-propoxyaniline.
What is the SMILES notation for 2-ethoxy-4-propoxyaniline?
The canonical SMILES for 2-ethoxy-4-propoxyaniline is CCCOc1ccc(N)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-propoxyaniline?
The InChIKey is KHIMEGJVRHATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 2-ethoxy-4-propoxyaniline?
2-ethoxy-4-propoxyaniline has a molecular weight of 195.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propoxyaniline is sourced from PubChem (CID 63677806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).