N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline

C16H19NS — CID 101038849

IUPACN,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C16H19NS/c1-3-17(4-2)15-10-7-14(8-11-15)9-12-16-6-5-13-18-16/h5-13H,3-4H2,1-2H3/b12-9+
InChIKeyMOUJAZAKDAEEDW-FMIVXFBMSA-N
MW257.40 g/mol
LogP4.76
Rot. Bonds5

About N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline

N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline (PubChem CID 101038849) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
PubChem CID101038849
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C16H19NS/c1-3-17(4-2)15-10-7-14(8-11-15)9-12-16-6-5-13-18-16/h5-13H,3-4H2,1-2H3/b12-9+
InChIKeyMOUJAZAKDAEEDW-FMIVXFBMSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline (CID 101038849) is N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline is CCN(CC)c1ccc(/C=C/c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The InChIKey is MOUJAZAKDAEEDW-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H19NS/c1-3-17(4-2)15-10-7-14(8-11-15)9-12-16-6-5-13-18-16/h5-13H,3-4H2,1-2H3/b12-9+.
What are the key properties of N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline?
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline has a molecular weight of 257.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline is sourced from PubChem (CID 101038849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).