2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine

C18H25NSSi — CID 103437612

IUPAC2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESC[Si](C)(C)c1ccc(CNCCSc2ccccc2)cc1
InChIInChI=1S/C18H25NSSi/c1-21(2,3)18-11-9-16(10-12-18)15-19-13-14-20-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3
InChIKeyZWRZHIPFKMKDNJ-UHFFFAOYSA-N
MW315.56 g/mol
LogP4.11
Rot. Bonds7

About 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine

2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine (PubChem CID 103437612) has the molecular formula C18H25NSSi and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
PubChem CID103437612
Molecular FormulaC18H25NSSi
Molecular Weight315.56 g/mol
Exact Mass315.15
IUPAC Name2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESC[Si](C)(C)c1ccc(CNCCSc2ccccc2)cc1
InChIInChI=1S/C18H25NSSi/c1-21(2,3)18-11-9-16(10-12-18)15-19-13-14-20-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3
InChIKeyZWRZHIPFKMKDNJ-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 60664698
N-[(4-methylsulfonylphenyl)methyl]-2-phenylsulfanylethanamine
CID 112732606
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 15326859
N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
N'-hydroxy-4-[(2-phenylsulfanylethylamino)methyl]benzenecarboximidamide
CID 77026378
2-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62698407
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 65021993
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The IUPAC name of 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine (CID 103437612) is 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The canonical SMILES for 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine is C[Si](C)(C)c1ccc(CNCCSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The InChIKey is ZWRZHIPFKMKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NSSi/c1-21(2,3)18-11-9-16(10-12-18)15-19-13-14-20-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3.
What are the key properties of 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine has a molecular weight of 315.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine is sourced from PubChem (CID 103437612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).