4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline

C19H19NO — CID 53315412

IUPAC4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline
SMILESCOc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C
InChIInChI=1S/C19H19NO/c1-20(2)18-11-8-14(13-19(18)21-3)12-16-10-9-15-6-4-5-7-17(15)16/h4-13H,1-3H3/b16-12-
InChIKeyKNZRDPHESMHXID-VBKFSLOCSA-N
MW277.37 g/mol
LogP4.33
Rot. Bonds3

About 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline

4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline (PubChem CID 53315412) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline
PubChem CID53315412
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline
SMILESCOc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C
InChIInChI=1S/C19H19NO/c1-20(2)18-11-8-14(13-19(18)21-3)12-16-10-9-15-6-4-5-7-17(15)16/h4-13H,1-3H3/b16-12-
InChIKeyKNZRDPHESMHXID-VBKFSLOCSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline (CID 53315412) is 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline is COc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C.
What is the InChIKey of 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline?
The InChIKey is KNZRDPHESMHXID-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H19NO/c1-20(2)18-11-8-14(13-19(18)21-3)12-16-10-9-15-6-4-5-7-17(15)16/h4-13H,1-3H3/b16-12-.
What are the key properties of 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline?
4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-inden-1-ylidenemethyl]-2-methoxy-N,N-dimethylaniline is sourced from PubChem (CID 53315412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).