4-ethylaniline

C8H11N — CID 11504

IUPAC4-ethylaniline
SMILESCCc1ccc(N)cc1
InChIInChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKeyHRXZRAXKKNUKRF-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.83
Rot. Bonds1

About 4-ethylaniline

4-ethylaniline (PubChem CID 11504) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-ethylaniline.

Molecular Properties

Compound Name4-ethylaniline
PubChem CID11504
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-ethylaniline
SMILESCCc1ccc(N)cc1
InChIInChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKeyHRXZRAXKKNUKRF-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
2,4-Diaminotoluene
CID 7261
Dimethyl-p-toluidine
CID 7471
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2-Naphthylamine
CID 7057
Benzidine
CID 7111
3,4-Diaminotoluene
CID 10332
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2,6-Diaminotoluene
CID 13205

Frequently Asked Questions

What is the IUPAC name of 4-ethylaniline?
The IUPAC name of 4-ethylaniline (CID 11504) is 4-ethylaniline.
What is the SMILES notation for 4-ethylaniline?
The canonical SMILES for 4-ethylaniline is CCc1ccc(N)cc1.
What is the InChIKey of 4-ethylaniline?
The InChIKey is HRXZRAXKKNUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3.
What are the key properties of 4-ethylaniline?
4-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 4-ethylaniline is sourced from PubChem (CID 11504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).