2,5-diethylaniline

C10H15N — CID 11321036

IUPAC2,5-diethylaniline
SMILESCCc1ccc(CC)c(N)c1
InChIInChI=1S/C10H15N/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7H,3-4,11H2,1-2H3
InChIKeyVBUBGTCJRMYYRA-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.39
Rot. Bonds2

About 2,5-diethylaniline

2,5-diethylaniline (PubChem CID 11321036) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,5-diethylaniline.

Molecular Properties

Compound Name2,5-diethylaniline
PubChem CID11321036
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,5-diethylaniline
SMILESCCc1ccc(CC)c(N)c1
InChIInChI=1S/C10H15N/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7H,3-4,11H2,1-2H3
InChIKeyVBUBGTCJRMYYRA-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethylaniline?
The IUPAC name of 2,5-diethylaniline (CID 11321036) is 2,5-diethylaniline.
What is the SMILES notation for 2,5-diethylaniline?
The canonical SMILES for 2,5-diethylaniline is CCc1ccc(CC)c(N)c1.
What is the InChIKey of 2,5-diethylaniline?
The InChIKey is VBUBGTCJRMYYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 2,5-diethylaniline?
2,5-diethylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylaniline is sourced from PubChem (CID 11321036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).