4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline

C19H19N — CID 6310213

IUPAC4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline
SMILESCc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C
InChIInChI=1S/C19H19N/c1-14-12-15(8-11-19(14)20(2)3)13-17-10-9-16-6-4-5-7-18(16)17/h4-13H,1-3H3/b17-13+
InChIKeyAPDWNFSVJPHAHU-GHRIWEEISA-N
MW261.37 g/mol
LogP4.63
Rot. Bonds2

About 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline

4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline (PubChem CID 6310213) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline.

Molecular Properties

Compound Name4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline
PubChem CID6310213
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline
SMILESCc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C
InChIInChI=1S/C19H19N/c1-14-12-15(8-11-19(14)20(2)3)13-17-10-9-16-6-4-5-7-18(16)17/h4-13H,1-3H3/b17-13+
InChIKeyAPDWNFSVJPHAHU-GHRIWEEISA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.63
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 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline?
The IUPAC name of 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline (CID 6310213) is 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline.
What is the SMILES notation for 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline?
The canonical SMILES for 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline is Cc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C.
What is the InChIKey of 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline?
The InChIKey is APDWNFSVJPHAHU-GHRIWEEISA-N. The full InChI is InChI=1S/C19H19N/c1-14-12-15(8-11-19(14)20(2)3)13-17-10-9-16-6-4-5-7-18(16)17/h4-13H,1-3H3/b17-13+.
What are the key properties of 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline?
4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline has a molecular weight of 261.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-inden-1-ylidenemethyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 6310213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).