2-ethylaniline;propane

C11H19N — CID 143529464

IUPAC2-ethylaniline;propane
SMILESCCC.CCc1ccccc1N
InChIInChI=1S/C8H11N.C3H8/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6H,2,9H2,1H3;3H2,1-2H3
InChIKeyPYGPMMIEOBBJNL-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.25
Rot. Bonds1

About 2-ethylaniline;propane

2-ethylaniline;propane (PubChem CID 143529464) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-ethylaniline;propane.

Molecular Properties

Compound Name2-ethylaniline;propane
PubChem CID143529464
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-ethylaniline;propane
SMILESCCC.CCc1ccccc1N
InChIInChI=1S/C8H11N.C3H8/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6H,2,9H2,1H3;3H2,1-2H3
InChIKeyPYGPMMIEOBBJNL-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylaniline;propane?
The IUPAC name of 2-ethylaniline;propane (CID 143529464) is 2-ethylaniline;propane.
What is the SMILES notation for 2-ethylaniline;propane?
The canonical SMILES for 2-ethylaniline;propane is CCC.CCc1ccccc1N.
What is the InChIKey of 2-ethylaniline;propane?
The InChIKey is PYGPMMIEOBBJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C3H8/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6H,2,9H2,1H3;3H2,1-2H3.
What are the key properties of 2-ethylaniline;propane?
2-ethylaniline;propane has a molecular weight of 165.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylaniline;propane is sourced from PubChem (CID 143529464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).