N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline

C21H29NOSi — CID 134932721

IUPACN-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline
SMILESCN(/C(=C/OCc1ccccc1)CC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22(20-13-9-6-10-14-20)21(15-16-24(2,3)4)18-23-17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3/b21-18+
InChIKeyQBERDQDTXAMUGB-DYTRJAOYSA-N
MW339.56 g/mol
LogP5.91
Rot. Bonds8

About N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline

N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline (PubChem CID 134932721) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline
PubChem CID134932721
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC NameN-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline
SMILESCN(/C(=C/OCc1ccccc1)CC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22(20-13-9-6-10-14-20)21(15-16-24(2,3)4)18-23-17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3/b21-18+
InChIKeyQBERDQDTXAMUGB-DYTRJAOYSA-N
XLogP5.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]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-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline?
The IUPAC name of N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline (CID 134932721) is N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline.
What is the SMILES notation for N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline?
The canonical SMILES for N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline is CN(/C(=C/OCc1ccccc1)CC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline?
The InChIKey is QBERDQDTXAMUGB-DYTRJAOYSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-22(20-13-9-6-10-14-20)21(15-16-24(2,3)4)18-23-17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3/b21-18+.
What are the key properties of N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline?
N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline has a molecular weight of 339.56 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-phenylmethoxy-4-trimethylsilylbut-1-en-2-yl]aniline is sourced from PubChem (CID 134932721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).