2-ethenyl-N,N-diethyl-3,4-dimethylaniline

C14H21N — CID 151762255

IUPAC2-ethenyl-N,N-diethyl-3,4-dimethylaniline
SMILESC=Cc1c(N(CC)CC)ccc(C)c1C
InChIInChI=1S/C14H21N/c1-6-13-12(5)11(4)9-10-14(13)15(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3
InChIKeyRQUPSCBYASCSPR-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.79
Rot. Bonds4

About 2-ethenyl-N,N-diethyl-3,4-dimethylaniline

2-ethenyl-N,N-diethyl-3,4-dimethylaniline (PubChem CID 151762255) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethenyl-N,N-diethyl-3,4-dimethylaniline.

Molecular Properties

Compound Name2-ethenyl-N,N-diethyl-3,4-dimethylaniline
PubChem CID151762255
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-ethenyl-N,N-diethyl-3,4-dimethylaniline
SMILESC=Cc1c(N(CC)CC)ccc(C)c1C
InChIInChI=1S/C14H21N/c1-6-13-12(5)11(4)9-10-14(13)15(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3
InChIKeyRQUPSCBYASCSPR-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N-diethyl-3,4-dimethylaniline?
The IUPAC name of 2-ethenyl-N,N-diethyl-3,4-dimethylaniline (CID 151762255) is 2-ethenyl-N,N-diethyl-3,4-dimethylaniline.
What is the SMILES notation for 2-ethenyl-N,N-diethyl-3,4-dimethylaniline?
The canonical SMILES for 2-ethenyl-N,N-diethyl-3,4-dimethylaniline is C=Cc1c(N(CC)CC)ccc(C)c1C.
What is the InChIKey of 2-ethenyl-N,N-diethyl-3,4-dimethylaniline?
The InChIKey is RQUPSCBYASCSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-6-13-12(5)11(4)9-10-14(13)15(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of 2-ethenyl-N,N-diethyl-3,4-dimethylaniline?
2-ethenyl-N,N-diethyl-3,4-dimethylaniline has a molecular weight of 203.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N-diethyl-3,4-dimethylaniline is sourced from PubChem (CID 151762255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).