4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline

C21H23N — CID 53315550

IUPAC4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1
InChIInChI=1S/C21H23N/c1-16(2)15-22(3)20-12-8-17(9-13-20)14-19-11-10-18-6-4-5-7-21(18)19/h4-14,16H,15H2,1-3H3/b19-14+
InChIKeyPJQCJAYMLUWRGE-XMHGGMMESA-N
MW289.42 g/mol
LogP5.35
Rot. Bonds4

About 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline

4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 53315550) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline
PubChem CID53315550
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1
InChIInChI=1S/C21H23N/c1-16(2)15-22(3)20-12-8-17(9-13-20)14-19-11-10-18-6-4-5-7-21(18)19/h4-14,16H,15H2,1-3H3/b19-14+
InChIKeyPJQCJAYMLUWRGE-XMHGGMMESA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.35
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-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline (CID 53315550) is 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1.
What is the InChIKey of 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is PJQCJAYMLUWRGE-XMHGGMMESA-N. The full InChI is InChI=1S/C21H23N/c1-16(2)15-22(3)20-12-8-17(9-13-20)14-19-11-10-18-6-4-5-7-21(18)19/h4-14,16H,15H2,1-3H3/b19-14+.
What are the key properties of 4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline?
4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 289.42 g/mol, XLogP of 5.35, 4 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-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 53315550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).