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

C18H21N — CID 6445725

IUPACN,N-diethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-19(4-2)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b11-10+
InChIKeyFBZZYZMCLSMELP-ZHACJKMWSA-N
MW251.37 g/mol
LogP4.70
Rot. Bonds5

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

N,N-diethyl-4-[(E)-2-phenylethenyl]aniline (PubChem CID 6445725) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-phenylethenyl]aniline
PubChem CID6445725
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,N-diethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-19(4-2)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b11-10+
InChIKeyFBZZYZMCLSMELP-ZHACJKMWSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-phenylethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-phenylethenyl]aniline (CID 6445725) is N,N-diethyl-4-[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-phenylethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-phenylethenyl]aniline is CCN(CC)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-phenylethenyl]aniline?
The InChIKey is FBZZYZMCLSMELP-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H21N/c1-3-19(4-2)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b11-10+.
What are the key properties of N,N-diethyl-4-[(E)-2-phenylethenyl]aniline?
N,N-diethyl-4-[(E)-2-phenylethenyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 6445725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).