trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane

C19H26NSi+ — CID 10387574

IUPACtrimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
SMILESC[N@@+]1(C[Si](C)(C)C)Cc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H26NSi/c1-20(15-21(2,3)4)14-17-12-8-9-13-18(17)19(20)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3/q+1/t19-,20+/m1/s1
InChIKeyNLWSBEGLTWSQAR-UXHICEINSA-N
MW296.51 g/mol
LogP4.61
Rot. Bonds3

About trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane

trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane (PubChem CID 10387574) has the molecular formula C19H26NSi+ and a molecular weight of 296.51 g/mol. Its IUPAC name is trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
PubChem CID10387574
Molecular FormulaC19H26NSi+
Molecular Weight296.51 g/mol
Exact Mass296.18
IUPAC Nametrimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
SMILESC[N@@+]1(C[Si](C)(C)C)Cc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H26NSi/c1-20(15-21(2,3)4)14-17-12-8-9-13-18(17)19(20)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3/q+1/t19-,20+/m1/s1
InChIKeyNLWSBEGLTWSQAR-UXHICEINSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
CID 10479067
trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide
CID 11725224
[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
CID 10249736
trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
CID 10029159
5-methyl-5-oxido-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-5-ium
CID 10445791
1-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 50852190
trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
CID 10067134
[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide
CID 15894052
(1S)-1-ethyl-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 139197809
2-(1,3,2-dioxaborolan-2-yl)-1-phenyl-1,3-dihydroisoindol-2-ium-2-carboxamide
CID 90008811
7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol
CID 11653122
N,N-diethyl-2-(2-oxido-1-pyridin-3-yl-1,3-dihydroisoindol-2-ium-2-yl)ethanamine
CID 88652525

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane?
The IUPAC name of trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane (CID 10387574) is trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane?
The canonical SMILES for trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane is C[N@@+]1(C[Si](C)(C)C)Cc2ccccc2[C@H]1c1ccccc1.
What is the InChIKey of trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane?
The InChIKey is NLWSBEGLTWSQAR-UXHICEINSA-N. The full InChI is InChI=1S/C19H26NSi/c1-20(15-21(2,3)4)14-17-12-8-9-13-18(17)19(20)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3/q+1/t19-,20+/m1/s1.
What are the key properties of trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane?
trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane has a molecular weight of 296.51 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane is sourced from PubChem (CID 10387574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).