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

C16H29NO2Si — CID 11984480

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](N)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(5,6)19-12-14(17)11-13-7-9-15(18-4)10-8-13/h7-10,14H,11-12,17H2,1-6H3/t14-/m0/s1
InChIKeyOTJIQMPCXQYZMB-AWEZNQCLSA-N
MW295.50 g/mol
LogP3.59
Rot. Bonds6

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

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 11984480) has the molecular formula C16H29NO2Si and a molecular weight of 295.50 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
PubChem CID11984480
Molecular FormulaC16H29NO2Si
Molecular Weight295.50 g/mol
Exact Mass295.20
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](N)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(5,6)19-12-14(17)11-13-7-9-15(18-4)10-8-13/h7-10,14H,11-12,17H2,1-6H3/t14-/m0/s1
InChIKeyOTJIQMPCXQYZMB-AWEZNQCLSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.59
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

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(S)-1-(4-Methoxyphenyl)ethylamine
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4-Benzyloxyamphetamine
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2-Methoxyamphetamine
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2-(4-Methoxyphenyl)cyclopropanamine
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4-Methoxyamfetamine hydrochloride
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1-(4-Methoxyphenyl)ethanamine
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4-Methoxymethamphetamine, (R)-
CID 40463419

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine (CID 11984480) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine is COc1ccc(C[C@H](N)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is OTJIQMPCXQYZMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29NO2Si/c1-16(2,3)20(5,6)19-12-14(17)11-13-7-9-15(18-4)10-8-13/h7-10,14H,11-12,17H2,1-6H3/t14-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 11984480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).