4-ethenyl-2,3-diethylaniline

C12H17N — CID 70188085

IUPAC4-ethenyl-2,3-diethylaniline
SMILESC=Cc1ccc(N)c(CC)c1CC
InChIInChI=1S/C12H17N/c1-4-9-7-8-12(13)11(6-3)10(9)5-2/h4,7-8H,1,5-6,13H2,2-3H3
InChIKeyDNDLJWLYYHKICX-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.04
Rot. Bonds3

About 4-ethenyl-2,3-diethylaniline

4-ethenyl-2,3-diethylaniline (PubChem CID 70188085) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-ethenyl-2,3-diethylaniline.

Molecular Properties

Compound Name4-ethenyl-2,3-diethylaniline
PubChem CID70188085
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-ethenyl-2,3-diethylaniline
SMILESC=Cc1ccc(N)c(CC)c1CC
InChIInChI=1S/C12H17N/c1-4-9-7-8-12(13)11(6-3)10(9)5-2/h4,7-8H,1,5-6,13H2,2-3H3
InChIKeyDNDLJWLYYHKICX-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.04
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 4-ethenyl-2,3-diethylaniline?
The IUPAC name of 4-ethenyl-2,3-diethylaniline (CID 70188085) is 4-ethenyl-2,3-diethylaniline.
What is the SMILES notation for 4-ethenyl-2,3-diethylaniline?
The canonical SMILES for 4-ethenyl-2,3-diethylaniline is C=Cc1ccc(N)c(CC)c1CC.
What is the InChIKey of 4-ethenyl-2,3-diethylaniline?
The InChIKey is DNDLJWLYYHKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-9-7-8-12(13)11(6-3)10(9)5-2/h4,7-8H,1,5-6,13H2,2-3H3.
What are the key properties of 4-ethenyl-2,3-diethylaniline?
4-ethenyl-2,3-diethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3-diethylaniline is sourced from PubChem (CID 70188085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).