N-ethyl-4-methoxyaniline

C9H13NO — CID 11804947

IUPACN-ethyl-4-methoxyaniline
SMILESCCNc1ccc(OC)cc1
InChIInChI=1S/C9H13NO/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyMCPNIYHJPMRCQU-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds3

About N-ethyl-4-methoxyaniline

N-ethyl-4-methoxyaniline (PubChem CID 11804947) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethyl-4-methoxyaniline.

Molecular Properties

Compound NameN-ethyl-4-methoxyaniline
PubChem CID11804947
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-ethyl-4-methoxyaniline
SMILESCCNc1ccc(OC)cc1
InChIInChI=1S/C9H13NO/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyMCPNIYHJPMRCQU-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-ethyl-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxyaniline?
The IUPAC name of N-ethyl-4-methoxyaniline (CID 11804947) is N-ethyl-4-methoxyaniline.
What is the SMILES notation for N-ethyl-4-methoxyaniline?
The canonical SMILES for N-ethyl-4-methoxyaniline is CCNc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxyaniline?
The InChIKey is MCPNIYHJPMRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-methoxyaniline?
N-ethyl-4-methoxyaniline has a molecular weight of 151.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxyaniline is sourced from PubChem (CID 11804947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).