(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane

C12H18ClNOSi — CID 167733189

IUPAC(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1cc2c(cc1Cl)CCNC2
InChIInChI=1S/C12H18ClNOSi/c1-16(2,3)15-12-7-10-8-14-5-4-9(10)6-11(12)13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyVNFSJKRFKALGNX-UHFFFAOYSA-N
MW255.82 g/mol
LogP3.20
Rot. Bonds2

About (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane

(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane (PubChem CID 167733189) has the molecular formula C12H18ClNOSi and a molecular weight of 255.82 g/mol. Its IUPAC name is (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane
PubChem CID167733189
Molecular FormulaC12H18ClNOSi
Molecular Weight255.82 g/mol
Exact Mass255.08
IUPAC Name(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1cc2c(cc1Cl)CCNC2
InChIInChI=1S/C12H18ClNOSi/c1-16(2,3)15-12-7-10-8-14-5-4-9(10)6-11(12)13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyVNFSJKRFKALGNX-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane?
The IUPAC name of (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane (CID 167733189) is (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane.
What is the SMILES notation for (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane?
The canonical SMILES for (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane is C[Si](C)(C)Oc1cc2c(cc1Cl)CCNC2.
What is the InChIKey of (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane?
The InChIKey is VNFSJKRFKALGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOSi/c1-16(2,3)15-12-7-10-8-14-5-4-9(10)6-11(12)13/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane?
(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane has a molecular weight of 255.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane is sourced from PubChem (CID 167733189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).