trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide

C21H27F3INSi — CID 10029159

IUPACtrimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
SMILESC[N@+]1(C[Si](C)(C)C)Cc2ccccc2C[C@H]1c1ccc(C(F)(F)F)cc1.[I-]
InChIInChI=1S/C21H27F3NSi.HI/c1-25(15-26(2,3)4)14-18-8-6-5-7-17(18)13-20(25)16-9-11-19(12-10-16)21(22,23)24;/h5-12,20H,13-15H2,1-4H3;1H/q+1;/p-1/t20-,25+;/m0./s1
InChIKeyYGZKHRHSGGMFMZ-XWGBWKJCSA-M
MW505.44 g/mol
LogP2.83
Rot. Bonds3

About trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide

trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide (PubChem CID 10029159) has the molecular formula C21H27F3INSi and a molecular weight of 505.44 g/mol. Its IUPAC name is trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide.

Molecular Properties

Compound Nametrimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
PubChem CID10029159
Molecular FormulaC21H27F3INSi
Molecular Weight505.44 g/mol
Exact Mass505.09
IUPAC Nametrimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
SMILESC[N@+]1(C[Si](C)(C)C)Cc2ccccc2C[C@H]1c1ccc(C(F)(F)F)cc1.[I-]
InChIInChI=1S/C21H27F3NSi.HI/c1-25(15-26(2,3)4)14-18-8-6-5-7-17(18)13-20(25)16-9-11-19(12-10-16)21(22,23)24;/h5-12,20H,13-15H2,1-4H3;1H/q+1;/p-1/t20-,25+;/m0./s1
InChIKeyYGZKHRHSGGMFMZ-XWGBWKJCSA-M
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
CID 10479067
trimethyl-[[1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-yl]methyl]silane
CID 11725385
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 65406837
1-(2,3-dihydro-1H-inden-2-yl)-N-[[4-(trifluoromethyl)phenoxy]methyl]methanamine
CID 102268003
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 90635671
(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729243
(4R)-2,2-diethyl-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-dione
CID 132536375
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 59536282
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 81358226
4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
CID 91215851
(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 25234682

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide?
The IUPAC name of trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide (CID 10029159) is trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide.
What is the SMILES notation for trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide?
The canonical SMILES for trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide is C[N@+]1(C[Si](C)(C)C)Cc2ccccc2C[C@H]1c1ccc(C(F)(F)F)cc1.[I-].
What is the InChIKey of trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide?
The InChIKey is YGZKHRHSGGMFMZ-XWGBWKJCSA-M. The full InChI is InChI=1S/C21H27F3NSi.HI/c1-25(15-26(2,3)4)14-18-8-6-5-7-17(18)13-20(25)16-9-11-19(12-10-16)21(22,23)24;/h5-12,20H,13-15H2,1-4H3;1H/q+1;/p-1/t20-,25+;/m0./s1.
What are the key properties of trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide?
trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide has a molecular weight of 505.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide is sourced from PubChem (CID 10029159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).