(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine

C16H29NOSi — CID 122223185

IUPAC(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15-/m1/s1
InChIKeyWIKYZIWJVSQTNP-UKRRQHHQSA-N
MW279.50 g/mol
LogP4.36
Rot. Bonds5

About (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine

(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 122223185) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
PubChem CID122223185
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15-/m1/s1
InChIKeyWIKYZIWJVSQTNP-UKRRQHHQSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 54.36
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-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 10667277
tert-butyl (2S,3S)-2-benzamido-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 11590604
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
tris[2-(methylamino)-1-phenylpropyl] phosphate
CID 21115025
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
methyl (2E,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-phenylhepta-2,4-dienoate
CID 146161693

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine (CID 122223185) is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine is CN[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is WIKYZIWJVSQTNP-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15-/m1/s1.
What are the key properties of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 279.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 122223185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).