N-(4-ethenylphenyl)-3-ethyl-N-methylaniline

C17H19N — CID 118311414

IUPACN-(4-ethenylphenyl)-3-ethyl-N-methylaniline
SMILESC=Cc1ccc(N(C)c2cccc(CC)c2)cc1
InChIInChI=1S/C17H19N/c1-4-14-9-11-16(12-10-14)18(3)17-8-6-7-15(5-2)13-17/h4,6-13H,1,5H2,2-3H3
InChIKeyCGUCBGQAXKHKPJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.66
Rot. Bonds4

About N-(4-ethenylphenyl)-3-ethyl-N-methylaniline

N-(4-ethenylphenyl)-3-ethyl-N-methylaniline (PubChem CID 118311414) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-3-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-3-ethyl-N-methylaniline
PubChem CID118311414
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-(4-ethenylphenyl)-3-ethyl-N-methylaniline
SMILESC=Cc1ccc(N(C)c2cccc(CC)c2)cc1
InChIInChI=1S/C17H19N/c1-4-14-9-11-16(12-10-14)18(3)17-8-6-7-15(5-2)13-17/h4,6-13H,1,5H2,2-3H3
InChIKeyCGUCBGQAXKHKPJ-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-3-ethyl-N-methylaniline?
The IUPAC name of N-(4-ethenylphenyl)-3-ethyl-N-methylaniline (CID 118311414) is N-(4-ethenylphenyl)-3-ethyl-N-methylaniline.
What is the SMILES notation for N-(4-ethenylphenyl)-3-ethyl-N-methylaniline?
The canonical SMILES for N-(4-ethenylphenyl)-3-ethyl-N-methylaniline is C=Cc1ccc(N(C)c2cccc(CC)c2)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-3-ethyl-N-methylaniline?
The InChIKey is CGUCBGQAXKHKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-4-14-9-11-16(12-10-14)18(3)17-8-6-7-15(5-2)13-17/h4,6-13H,1,5H2,2-3H3.
What are the key properties of N-(4-ethenylphenyl)-3-ethyl-N-methylaniline?
N-(4-ethenylphenyl)-3-ethyl-N-methylaniline has a molecular weight of 237.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-3-ethyl-N-methylaniline is sourced from PubChem (CID 118311414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).