3-ethylaniline

C8H11N — CID 11475

IUPAC3-ethylaniline
SMILESCCc1cccc(N)c1
InChIInChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
InChIKeyAMKPQMFZCBTTAT-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.83
Rot. Bonds1

About 3-ethylaniline

3-ethylaniline (PubChem CID 11475) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-ethylaniline.

Molecular Properties

Compound Name3-ethylaniline
PubChem CID11475
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-ethylaniline
SMILESCCc1cccc(N)c1
InChIInChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
InChIKeyAMKPQMFZCBTTAT-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.83
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 3-ethylaniline?
The IUPAC name of 3-ethylaniline (CID 11475) is 3-ethylaniline.
What is the SMILES notation for 3-ethylaniline?
The canonical SMILES for 3-ethylaniline is CCc1cccc(N)c1.
What is the InChIKey of 3-ethylaniline?
The InChIKey is AMKPQMFZCBTTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3.
What are the key properties of 3-ethylaniline?
3-ethylaniline has a molecular weight of 121.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylaniline is sourced from PubChem (CID 11475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).