(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine

C23H35NO2Si — CID 101474100

IUPAC(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](CO[Si](C)(C)C(C)(C)C)NCc2ccccc2)cc1
InChIInChI=1S/C23H35NO2Si/c1-23(2,3)27(5,6)26-18-21(24-17-20-10-8-7-9-11-20)16-19-12-14-22(25-4)15-13-19/h7-15,21,24H,16-18H2,1-6H3/t21-/m0/s1
InChIKeyLCAWMOSCLVAOHS-NRFANRHFSA-N
MW385.62 g/mol
LogP5.42
Rot. Bonds9

About (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine

(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 101474100) has the molecular formula C23H35NO2Si and a molecular weight of 385.62 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
PubChem CID101474100
Molecular FormulaC23H35NO2Si
Molecular Weight385.62 g/mol
Exact Mass385.24
IUPAC Name(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](CO[Si](C)(C)C(C)(C)C)NCc2ccccc2)cc1
InChIInChI=1S/C23H35NO2Si/c1-23(2,3)27(5,6)26-18-21(24-17-20-10-8-7-9-11-20)16-19-12-14-22(25-4)15-13-19/h7-15,21,24H,16-18H2,1-6H3/t21-/m0/s1
InChIKeyLCAWMOSCLVAOHS-NRFANRHFSA-N
XLogP5.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-4-methylsulfinylbutan-2-amine
CID 54752710
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
benzyl [(1R)-1-[(2S,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 67796524
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
(1R,2S)-1-(4-bromo-1,3-thiazol-2-yl)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(4-methoxyphenyl)methyl]-2-phenylethanamine
CID 11533875
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine (CID 101474100) is (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine is COc1ccc(C[C@@H](CO[Si](C)(C)C(C)(C)C)NCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is LCAWMOSCLVAOHS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H35NO2Si/c1-23(2,3)27(5,6)26-18-21(24-17-20-10-8-7-9-11-20)16-19-12-14-22(25-4)15-13-19/h7-15,21,24H,16-18H2,1-6H3/t21-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 385.62 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 101474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).