4-ethyl-3-(2-methoxyethyl)aniline

C11H17NO — CID 175252801

IUPAC4-ethyl-3-(2-methoxyethyl)aniline
SMILESCCc1ccc(N)cc1CCOC
InChIInChI=1S/C11H17NO/c1-3-9-4-5-11(12)8-10(9)6-7-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeySLEAPGAZAQYVBX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.02
Rot. Bonds4

About 4-ethyl-3-(2-methoxyethyl)aniline

4-ethyl-3-(2-methoxyethyl)aniline (PubChem CID 175252801) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-ethyl-3-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-(2-methoxyethyl)aniline
PubChem CID175252801
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-ethyl-3-(2-methoxyethyl)aniline
SMILESCCc1ccc(N)cc1CCOC
InChIInChI=1S/C11H17NO/c1-3-9-4-5-11(12)8-10(9)6-7-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeySLEAPGAZAQYVBX-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.02
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 4-ethyl-3-(2-methoxyethyl)aniline?
The IUPAC name of 4-ethyl-3-(2-methoxyethyl)aniline (CID 175252801) is 4-ethyl-3-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-ethyl-3-(2-methoxyethyl)aniline?
The canonical SMILES for 4-ethyl-3-(2-methoxyethyl)aniline is CCc1ccc(N)cc1CCOC.
What is the InChIKey of 4-ethyl-3-(2-methoxyethyl)aniline?
The InChIKey is SLEAPGAZAQYVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-4-5-11(12)8-10(9)6-7-13-2/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 4-ethyl-3-(2-methoxyethyl)aniline?
4-ethyl-3-(2-methoxyethyl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methoxyethyl)aniline is sourced from PubChem (CID 175252801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).