(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine

C14H20BrNSi — CID 162405243

IUPAC(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
SMILESCNC[C@H](C#C[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNSi/c1-16-11-13(9-10-17(2,3)4)12-5-7-14(15)8-6-12/h5-8,13,16H,11H2,1-4H3/t13-/m0/s1
InChIKeyAGGSYZSXTWPUKI-ZDUSSCGKSA-N
MW310.31 g/mol
LogP3.63
Rot. Bonds3

About (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine

(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine (PubChem CID 162405243) has the molecular formula C14H20BrNSi and a molecular weight of 310.31 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
PubChem CID162405243
Molecular FormulaC14H20BrNSi
Molecular Weight310.31 g/mol
Exact Mass309.05
IUPAC Name(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
SMILESCNC[C@H](C#C[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNSi/c1-16-11-13(9-10-17(2,3)4)12-5-7-14(15)8-6-12/h5-8,13,16H,11H2,1-4H3/t13-/m0/s1
InChIKeyAGGSYZSXTWPUKI-ZDUSSCGKSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.63
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

(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(4-bromophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 143374136
1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 10334774
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
trimethyl-[(3R)-3-phenylhept-1-ynyl]silane
CID 102389836
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
ethyl 3-[[1-(4-bromophenyl)-2-(methylamino)ethyl]amino]propanoate
CID 145398379
2-(4-bromophenyl)butanenitrile;ethane
CID 91449921
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine?
The IUPAC name of (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine (CID 162405243) is (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine is CNC[C@H](C#C[Si](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine?
The InChIKey is AGGSYZSXTWPUKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BrNSi/c1-16-11-13(9-10-17(2,3)4)12-5-7-14(15)8-6-12/h5-8,13,16H,11H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine?
(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine has a molecular weight of 310.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine is sourced from PubChem (CID 162405243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).