4-(2-methoxyethyl)aniline

C9H13NO — CID 3020135

IUPAC4-(2-methoxyethyl)aniline
SMILESCOCCc1ccc(N)cc1
InChIInChI=1S/C9H13NO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,10H2,1H3
InChIKeyLGBFKALRQPQBJJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.46
Rot. Bonds3

About 4-(2-methoxyethyl)aniline

4-(2-methoxyethyl)aniline (PubChem CID 3020135) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-methoxyethyl)aniline
PubChem CID3020135
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(2-methoxyethyl)aniline
SMILESCOCCc1ccc(N)cc1
InChIInChI=1S/C9H13NO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,10H2,1H3
InChIKeyLGBFKALRQPQBJJ-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)aniline?
The IUPAC name of 4-(2-methoxyethyl)aniline (CID 3020135) is 4-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(2-methoxyethyl)aniline?
The canonical SMILES for 4-(2-methoxyethyl)aniline is COCCc1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxyethyl)aniline?
The InChIKey is LGBFKALRQPQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,10H2,1H3.
What are the key properties of 4-(2-methoxyethyl)aniline?
4-(2-methoxyethyl)aniline has a molecular weight of 151.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)aniline is sourced from PubChem (CID 3020135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).