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

C16H17N — CID 640024

IUPACN,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+
InChIKeyXGHHHPDRXLIMPM-CMDGGOBGSA-N
MW223.32 g/mol
LogP3.92
Rot. Bonds3

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

N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline (PubChem CID 640024) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
PubChem CID640024
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+
InChIKeyXGHHHPDRXLIMPM-CMDGGOBGSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.92
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-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline (CID 640024) is N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline is CN(C)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The InChIKey is XGHHHPDRXLIMPM-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+.
What are the key properties of N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 640024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).