2-chloro-5-ethoxy-4-methylaniline

C9H12ClNO — CID 10986990

IUPAC2-chloro-5-ethoxy-4-methylaniline
SMILESCCOc1cc(N)c(Cl)cc1C
InChIInChI=1S/C9H12ClNO/c1-3-12-9-5-8(11)7(10)4-6(9)2/h4-5H,3,11H2,1-2H3
InChIKeyGQYNMKMWAULXGL-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-5-ethoxy-4-methylaniline

2-chloro-5-ethoxy-4-methylaniline (PubChem CID 10986990) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-4-methylaniline.

Molecular Properties

Compound Name2-chloro-5-ethoxy-4-methylaniline
PubChem CID10986990
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-5-ethoxy-4-methylaniline
SMILESCCOc1cc(N)c(Cl)cc1C
InChIInChI=1S/C9H12ClNO/c1-3-12-9-5-8(11)7(10)4-6(9)2/h4-5H,3,11H2,1-2H3
InChIKeyGQYNMKMWAULXGL-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-5-ethoxy-4-methylaniline?
The IUPAC name of 2-chloro-5-ethoxy-4-methylaniline (CID 10986990) is 2-chloro-5-ethoxy-4-methylaniline.
What is the SMILES notation for 2-chloro-5-ethoxy-4-methylaniline?
The canonical SMILES for 2-chloro-5-ethoxy-4-methylaniline is CCOc1cc(N)c(Cl)cc1C.
What is the InChIKey of 2-chloro-5-ethoxy-4-methylaniline?
The InChIKey is GQYNMKMWAULXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-3-12-9-5-8(11)7(10)4-6(9)2/h4-5H,3,11H2,1-2H3.
What are the key properties of 2-chloro-5-ethoxy-4-methylaniline?
2-chloro-5-ethoxy-4-methylaniline has a molecular weight of 185.65 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-4-methylaniline is sourced from PubChem (CID 10986990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).