3-chloro-4-(2-methoxyethoxy)aniline

C9H12ClNO2 — CID 6485749

IUPAC3-chloro-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(N)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyXHJPYZKZJFXXDY-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.95
Rot. Bonds4

About 3-chloro-4-(2-methoxyethoxy)aniline

3-chloro-4-(2-methoxyethoxy)aniline (PubChem CID 6485749) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyethoxy)aniline
PubChem CID6485749
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-chloro-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(N)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyXHJPYZKZJFXXDY-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyethoxy)aniline?
The IUPAC name of 3-chloro-4-(2-methoxyethoxy)aniline (CID 6485749) is 3-chloro-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for 3-chloro-4-(2-methoxyethoxy)aniline?
The canonical SMILES for 3-chloro-4-(2-methoxyethoxy)aniline is COCCOc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-methoxyethoxy)aniline?
The InChIKey is XHJPYZKZJFXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 3-chloro-4-(2-methoxyethoxy)aniline?
3-chloro-4-(2-methoxyethoxy)aniline has a molecular weight of 201.65 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 6485749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).