1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C34H39NOSi — CID 102466703

IUPAC1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(OCc3ccc(/C=C/[Si](C)(C)c4ccccc4)cc3)cc2)c(C)c1
InChIInChI=1S/C34H39NOSi/c1-26-21-27(2)34(28(3)22-26)24-35-23-30-15-17-32(18-16-30)36-25-31-13-11-29(12-14-31)19-20-37(4,5)33-9-7-6-8-10-33/h6-22,35H,23-25H2,1-5H3/b20-19+
InChIKeyOYXKNDZSWQODIL-FMQUCBEESA-N
MW505.78 g/mol
LogP7.65
Rot. Bonds10

About 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 102466703) has the molecular formula C34H39NOSi and a molecular weight of 505.78 g/mol. Its IUPAC name is 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID102466703
Molecular FormulaC34H39NOSi
Molecular Weight505.78 g/mol
Exact Mass505.28
IUPAC Name1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(OCc3ccc(/C=C/[Si](C)(C)c4ccccc4)cc3)cc2)c(C)c1
InChIInChI=1S/C34H39NOSi/c1-26-21-27(2)34(28(3)22-26)24-35-23-30-15-17-32(18-16-30)36-25-31-13-11-29(12-14-31)19-20-37(4,5)33-9-7-6-8-10-33/h6-22,35H,23-25H2,1-5H3/b20-19+
InChIKeyOYXKNDZSWQODIL-FMQUCBEESA-N
XLogP7.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine with MolForge

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Related Compounds

5-phenylmethoxy-N-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methyl]-1,2-benzothiazol-3-amine
CID 171594873
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
N-[(3,5-dimethylphenyl)methyl]-1-[4-[(4-ethynylphenyl)methoxy]phenyl]methanamine;pentafluoro-lambda5-phosphane;hydrofluoride
CID 11167974
1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine
CID 59348807
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17291782

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 102466703) is 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2ccc(OCc3ccc(/C=C/[Si](C)(C)c4ccccc4)cc3)cc2)c(C)c1.
What is the InChIKey of 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is OYXKNDZSWQODIL-FMQUCBEESA-N. The full InChI is InChI=1S/C34H39NOSi/c1-26-21-27(2)34(28(3)22-26)24-35-23-30-15-17-32(18-16-30)36-25-31-13-11-29(12-14-31)19-20-37(4,5)33-9-7-6-8-10-33/h6-22,35H,23-25H2,1-5H3/b20-19+.
What are the key properties of 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine has a molecular weight of 505.78 g/mol, XLogP of 7.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]methoxy]phenyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 102466703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).