ethane;2-ethylaniline

C10H17N — CID 90841248

IUPACethane;2-ethylaniline
SMILESCC.CCc1ccccc1N
InChIInChI=1S/C8H11N.C2H6/c1-2-7-5-3-4-6-8(7)9;1-2/h3-6H,2,9H2,1H3;1-2H3
InChIKeyKDVBBKPMSTYWAF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.86
Rot. Bonds1

About ethane;2-ethylaniline

ethane;2-ethylaniline (PubChem CID 90841248) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;2-ethylaniline.

Molecular Properties

Compound Nameethane;2-ethylaniline
PubChem CID90841248
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;2-ethylaniline
SMILESCC.CCc1ccccc1N
InChIInChI=1S/C8H11N.C2H6/c1-2-7-5-3-4-6-8(7)9;1-2/h3-6H,2,9H2,1H3;1-2H3
InChIKeyKDVBBKPMSTYWAF-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.86
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 ethane;2-ethylaniline?
The IUPAC name of ethane;2-ethylaniline (CID 90841248) is ethane;2-ethylaniline.
What is the SMILES notation for ethane;2-ethylaniline?
The canonical SMILES for ethane;2-ethylaniline is CC.CCc1ccccc1N.
What is the InChIKey of ethane;2-ethylaniline?
The InChIKey is KDVBBKPMSTYWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-2-7-5-3-4-6-8(7)9;1-2/h3-6H,2,9H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylaniline?
ethane;2-ethylaniline has a molecular weight of 151.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylaniline is sourced from PubChem (CID 90841248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).