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

C20H19N — CID 11459997

IUPACN,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N/c1-21(2)20-13-10-16(11-14-20)7-8-17-9-12-18-5-3-4-6-19(18)15-17/h3-15H,1-2H3/b8-7+
InChIKeyRRDADBSXDJUDCW-BQYQJAHWSA-N
MW273.38 g/mol
LogP5.08
Rot. Bonds3

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

N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline (PubChem CID 11459997) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline
PubChem CID11459997
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N/c1-21(2)20-13-10-16(11-14-20)7-8-17-9-12-18-5-3-4-6-19(18)15-17/h3-15H,1-2H3/b8-7+
InChIKeyRRDADBSXDJUDCW-BQYQJAHWSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.08
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'}

Analyze N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline (CID 11459997) is N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline is CN(C)c1ccc(/C=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The InChIKey is RRDADBSXDJUDCW-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19N/c1-21(2)20-13-10-16(11-14-20)7-8-17-9-12-18-5-3-4-6-19(18)15-17/h3-15H,1-2H3/b8-7+.
What are the key properties of N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
N,N-dimethyl-4-[(E)-2-naphthalen-2-ylethenyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 5.08, 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-naphthalen-2-ylethenyl]aniline is sourced from PubChem (CID 11459997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).