(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine

C27H35NO2Si — CID 154137263

IUPAC(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H](N)CCOCc1ccccc1
InChIInChI=1S/C27H35NO2Si/c1-26(2,3)31-30-27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)25(28)19-20-29-21-22-13-7-4-8-14-22/h4-18,25H,19-21,28,31H2,1-3H3/t25-/m0/s1
InChIKeyRFHDMYVGYIMBDG-VWLOTQADSA-N
MW433.67 g/mol
LogP5.18
Rot. Bonds10

About (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine

(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine (PubChem CID 154137263) has the molecular formula C27H35NO2Si and a molecular weight of 433.67 g/mol. Its IUPAC name is (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine
PubChem CID154137263
Molecular FormulaC27H35NO2Si
Molecular Weight433.67 g/mol
Exact Mass433.24
IUPAC Name(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H](N)CCOCc1ccccc1
InChIInChI=1S/C27H35NO2Si/c1-26(2,3)31-30-27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)25(28)19-20-29-21-22-13-7-4-8-14-22/h4-18,25H,19-21,28,31H2,1-3H3/t25-/m0/s1
InChIKeyRFHDMYVGYIMBDG-VWLOTQADSA-N
XLogP5.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl (2S)-4-[(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 154108114
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
tert-butyl N-[(2S)-1-[[(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-yl]-(2,2-dimethoxyethyl)amino]-1-oxopropan-2-yl]carbamate
CID 154114528
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
CID 142666314
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine?
The IUPAC name of (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine (CID 154137263) is (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine.
What is the SMILES notation for (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine?
The canonical SMILES for (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine is CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H](N)CCOCc1ccccc1.
What is the InChIKey of (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine?
The InChIKey is RFHDMYVGYIMBDG-VWLOTQADSA-N. The full InChI is InChI=1S/C27H35NO2Si/c1-26(2,3)31-30-27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)25(28)19-20-29-21-22-13-7-4-8-14-22/h4-18,25H,19-21,28,31H2,1-3H3/t25-/m0/s1.
What are the key properties of (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine?
(2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine has a molecular weight of 433.67 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butylsilyloxy-1,1-diphenyl-4-phenylmethoxybutan-2-amine is sourced from PubChem (CID 154137263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).