2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine

C15H27NOSi — CID 14872266

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OC(CN)Cc1ccccc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3
InChIKeyCDMBDVPMRLTHQI-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.58
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine

2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine (PubChem CID 14872266) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
PubChem CID14872266
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OC(CN)Cc1ccccc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3
InChIKeyCDMBDVPMRLTHQI-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
CID 101483549
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
CID 25179193
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 19836141

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine (CID 14872266) is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine is CC(C)(C)[Si](C)(C)OC(CN)Cc1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine?
The InChIKey is CDMBDVPMRLTHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine?
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine is sourced from PubChem (CID 14872266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).