(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine

C17H29NO2Si — CID 69307840

IUPAC(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OCCc2cc(N)ccc21
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-11-9-16-15-7-6-14(18)12-13(15)8-10-19-16/h6-7,12,16H,8-11,18H2,1-5H3/t16-/m0/s1
InChIKeyXWAREYCQNQCFKU-INIZCTEOSA-N
MW307.51 g/mol
LogP4.29
Rot. Bonds4

About (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine

(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine (PubChem CID 69307840) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine.

Molecular Properties

Compound Name(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine
PubChem CID69307840
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OCCc2cc(N)ccc21
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-11-9-16-15-7-6-14(18)12-13(15)8-10-19-16/h6-7,12,16H,8-11,18H2,1-5H3/t16-/m0/s1
InChIKeyXWAREYCQNQCFKU-INIZCTEOSA-N
XLogP4.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine?
The IUPAC name of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine (CID 69307840) is (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine.
What is the SMILES notation for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine?
The canonical SMILES for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine is CC(C)(C)[Si](C)(C)OCC[C@@H]1OCCc2cc(N)ccc21.
What is the InChIKey of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine?
The InChIKey is XWAREYCQNQCFKU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-11-9-16-15-7-6-14(18)12-13(15)8-10-19-16/h6-7,12,16H,8-11,18H2,1-5H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine?
(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine has a molecular weight of 307.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-1H-isochromen-6-amine is sourced from PubChem (CID 69307840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).