2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline

C35H33NOSi — CID 162410968

IUPAC2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline
SMILESCOc1ccccc1NC(C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33NOSi/c1-37-35-27-15-14-25-34(35)36-33(29-17-6-2-7-18-29)26-16-28-38(30-19-8-3-9-20-30,31-21-10-4-11-22-31)32-23-12-5-13-24-32/h2-25,27-28,33,36H,26H2,1H3/b28-16+
InChIKeyLOSWOFAHZDDCBQ-LQKURTRISA-N
MW511.74 g/mol
LogP6.50
Rot. Bonds10

About 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline

2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline (PubChem CID 162410968) has the molecular formula C35H33NOSi and a molecular weight of 511.74 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline
PubChem CID162410968
Molecular FormulaC35H33NOSi
Molecular Weight511.74 g/mol
Exact Mass511.23
IUPAC Name2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline
SMILESCOc1ccccc1NC(C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33NOSi/c1-37-35-27-15-14-25-34(35)36-33(29-17-6-2-7-18-29)26-16-28-38(30-19-8-3-9-20-30,31-21-10-4-11-22-31)32-23-12-5-13-24-32/h2-25,27-28,33,36H,26H2,1H3/b28-16+
InChIKeyLOSWOFAHZDDCBQ-LQKURTRISA-N
XLogP6.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2-methoxy-N-[(1S)-1-phenyl-2-prop-2-ynoxyethyl]aniline
CID 172645714
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
[(E)-3-methoxyprop-1-enyl]-triphenylsilane
CID 102399031
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
2,4-dimethoxy-N-[(1R)-2-nitro-1-phenylethyl]aniline
CID 94714144
(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
CID 23642490
3-(2-methoxy-5-methylanilino)-3-phenylpropanenitrile
CID 62780374
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline?
The IUPAC name of 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline (CID 162410968) is 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline?
The canonical SMILES for 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline is COc1ccccc1NC(C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline?
The InChIKey is LOSWOFAHZDDCBQ-LQKURTRISA-N. The full InChI is InChI=1S/C35H33NOSi/c1-37-35-27-15-14-25-34(35)36-33(29-17-6-2-7-18-29)26-16-28-38(30-19-8-3-9-20-30,31-21-10-4-11-22-31)32-23-12-5-13-24-32/h2-25,27-28,33,36H,26H2,1H3/b28-16+.
What are the key properties of 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline?
2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline has a molecular weight of 511.74 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-1-phenyl-4-triphenylsilylbut-3-enyl]aniline is sourced from PubChem (CID 162410968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).