3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline

C18H16ClN — CID 6165561

IUPAC3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H16ClN/c1-20(2)16-10-9-15(18(19)12-16)11-14-8-7-13-5-3-4-6-17(13)14/h3-12H,1-2H3/b14-11+
InChIKeyZADTWRBSMBLDEE-SDNWHVSQSA-N
MW281.79 g/mol
LogP4.97
Rot. Bonds2

About 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline

3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline (PubChem CID 6165561) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline
PubChem CID6165561
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H16ClN/c1-20(2)16-10-9-15(18(19)12-16)11-14-8-7-13-5-3-4-6-17(13)14/h3-12H,1-2H3/b14-11+
InChIKeyZADTWRBSMBLDEE-SDNWHVSQSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.97
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 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline?
The IUPAC name of 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline (CID 6165561) is 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline?
The InChIKey is ZADTWRBSMBLDEE-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H16ClN/c1-20(2)16-10-9-15(18(19)12-16)11-14-8-7-13-5-3-4-6-17(13)14/h3-12H,1-2H3/b14-11+.
What are the key properties of 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline?
3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline has a molecular weight of 281.79 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(E)-inden-1-ylidenemethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6165561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).