2-ethyl-N-methylaniline

C9H13N — CID 6427075

IUPAC2-ethyl-N-methylaniline
SMILESCCc1ccccc1NC
InChIInChI=1S/C9H13N/c1-3-8-6-4-5-7-9(8)10-2/h4-7,10H,3H2,1-2H3
InChIKeyCCYRVFJDASAJTG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.29
Rot. Bonds2

About 2-ethyl-N-methylaniline

2-ethyl-N-methylaniline (PubChem CID 6427075) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-ethyl-N-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-methylaniline
PubChem CID6427075
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-ethyl-N-methylaniline
SMILESCCc1ccccc1NC
InChIInChI=1S/C9H13N/c1-3-8-6-4-5-7-9(8)10-2/h4-7,10H,3H2,1-2H3
InChIKeyCCYRVFJDASAJTG-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N-methylaniline 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 2-ethyl-N-methylaniline?
The IUPAC name of 2-ethyl-N-methylaniline (CID 6427075) is 2-ethyl-N-methylaniline.
What is the SMILES notation for 2-ethyl-N-methylaniline?
The canonical SMILES for 2-ethyl-N-methylaniline is CCc1ccccc1NC.
What is the InChIKey of 2-ethyl-N-methylaniline?
The InChIKey is CCYRVFJDASAJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8-6-4-5-7-9(8)10-2/h4-7,10H,3H2,1-2H3.
What are the key properties of 2-ethyl-N-methylaniline?
2-ethyl-N-methylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylaniline is sourced from PubChem (CID 6427075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).