4-(2-methoxyethoxy)aniline

C9H13NO2 — CID 3879885

IUPAC4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(N)cc1
InChIInChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3
InChIKeyDIOBEQCFVVJJBU-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds4

About 4-(2-methoxyethoxy)aniline

4-(2-methoxyethoxy)aniline (PubChem CID 3879885) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)aniline
PubChem CID3879885
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(N)cc1
InChIInChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3
InChIKeyDIOBEQCFVVJJBU-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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 4-(2-methoxyethoxy)aniline?
The IUPAC name of 4-(2-methoxyethoxy)aniline (CID 3879885) is 4-(2-methoxyethoxy)aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)aniline?
The canonical SMILES for 4-(2-methoxyethoxy)aniline is COCCOc1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)aniline?
The InChIKey is DIOBEQCFVVJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)aniline?
4-(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 4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 3879885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).