1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine

C20H25NSi — CID 135004228

IUPAC1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CC(NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NSi/c1-22(2,3)17-15-20(19-12-8-5-9-13-19)21-16-14-18-10-6-4-7-11-18/h4-13,20-21H,14,16H2,1-3H3
InChIKeyXFMLNQMMFKSDFF-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.44
Rot. Bonds5

About 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine

1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine (PubChem CID 135004228) has the molecular formula C20H25NSi and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
PubChem CID135004228
Molecular FormulaC20H25NSi
Molecular Weight307.51 g/mol
Exact Mass307.18
IUPAC Name1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CC(NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NSi/c1-22(2,3)17-15-20(19-12-8-5-9-13-19)21-16-14-18-10-6-4-7-11-18/h4-13,20-21H,14,16H2,1-3H3
InChIKeyXFMLNQMMFKSDFF-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
CID 101180194
4-methyl-N-(2-phenylethyl)-1-trimethylsilylpent-1-yn-3-amine
CID 135004241
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
trimethyl-[(3R)-3-phenylhept-1-ynyl]silane
CID 102389836
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine?
The IUPAC name of 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine (CID 135004228) is 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine?
The canonical SMILES for 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine is C[Si](C)(C)C#CC(NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine?
The InChIKey is XFMLNQMMFKSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NSi/c1-22(2,3)17-15-20(19-12-8-5-9-13-19)21-16-14-18-10-6-4-7-11-18/h4-13,20-21H,14,16H2,1-3H3.
What are the key properties of 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine?
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine has a molecular weight of 307.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine is sourced from PubChem (CID 135004228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).