4-(1-methoxyethyl)aniline

C9H13NO — CID 59830861

IUPAC4-(1-methoxyethyl)aniline
SMILESCOC(C)c1ccc(N)cc1
InChIInChI=1S/C9H13NO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyBAMQQXXOBPLAPZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.98
Rot. Bonds2

About 4-(1-methoxyethyl)aniline

4-(1-methoxyethyl)aniline (PubChem CID 59830861) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(1-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(1-methoxyethyl)aniline
PubChem CID59830861
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(1-methoxyethyl)aniline
SMILESCOC(C)c1ccc(N)cc1
InChIInChI=1S/C9H13NO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyBAMQQXXOBPLAPZ-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.98
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-(1-methoxyethyl)aniline?
The IUPAC name of 4-(1-methoxyethyl)aniline (CID 59830861) is 4-(1-methoxyethyl)aniline.
What is the SMILES notation for 4-(1-methoxyethyl)aniline?
The canonical SMILES for 4-(1-methoxyethyl)aniline is COC(C)c1ccc(N)cc1.
What is the InChIKey of 4-(1-methoxyethyl)aniline?
The InChIKey is BAMQQXXOBPLAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3.
What are the key properties of 4-(1-methoxyethyl)aniline?
4-(1-methoxyethyl)aniline has a molecular weight of 151.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)aniline is sourced from PubChem (CID 59830861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).