3-(2-methoxyethoxy)aniline

C9H13NO2 — CID 16640686

IUPAC3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(N)c1
InChIInChI=1S/C9H13NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6,10H2,1H3
InChIKeyRNNUSMIPHMAFKN-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds4

About 3-(2-methoxyethoxy)aniline

3-(2-methoxyethoxy)aniline (PubChem CID 16640686) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)aniline
PubChem CID16640686
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(N)c1
InChIInChI=1S/C9H13NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6,10H2,1H3
InChIKeyRNNUSMIPHMAFKN-UHFFFAOYSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.29
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-(2-methoxyethoxy)aniline?
The IUPAC name of 3-(2-methoxyethoxy)aniline (CID 16640686) is 3-(2-methoxyethoxy)aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)aniline?
The canonical SMILES for 3-(2-methoxyethoxy)aniline is COCCOc1cccc(N)c1.
What is the InChIKey of 3-(2-methoxyethoxy)aniline?
The InChIKey is RNNUSMIPHMAFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6,10H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)aniline?
3-(2-methoxyethoxy)aniline has a molecular weight of 167.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 16640686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).