4-chloro-2-ethyl-6-methylaniline

C9H12ClN — CID 3018019

IUPAC4-chloro-2-ethyl-6-methylaniline
SMILESCCc1cc(Cl)cc(C)c1N
InChIInChI=1S/C9H12ClN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
InChIKeyWEGUQBDLWKTMOD-UHFFFAOYSA-N
MW169.65 g/mol
LogP2.79
Rot. Bonds1

About 4-chloro-2-ethyl-6-methylaniline

4-chloro-2-ethyl-6-methylaniline (PubChem CID 3018019) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-methylaniline.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-methylaniline
PubChem CID3018019
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name4-chloro-2-ethyl-6-methylaniline
SMILESCCc1cc(Cl)cc(C)c1N
InChIInChI=1S/C9H12ClN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
InChIKeyWEGUQBDLWKTMOD-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.79
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 4-chloro-2-ethyl-6-methylaniline?
The IUPAC name of 4-chloro-2-ethyl-6-methylaniline (CID 3018019) is 4-chloro-2-ethyl-6-methylaniline.
What is the SMILES notation for 4-chloro-2-ethyl-6-methylaniline?
The canonical SMILES for 4-chloro-2-ethyl-6-methylaniline is CCc1cc(Cl)cc(C)c1N.
What is the InChIKey of 4-chloro-2-ethyl-6-methylaniline?
The InChIKey is WEGUQBDLWKTMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-methylaniline?
4-chloro-2-ethyl-6-methylaniline has a molecular weight of 169.65 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-methylaniline is sourced from PubChem (CID 3018019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).