[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane

C25H37NSi — CID 102388736

IUPAC[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC1C[C@@H](c2ccccc2)Nc2ccccc21)(C(C)C)C(C)C
InChIInChI=1S/C25H37NSi/c1-18(2)27(19(3)4,20(5)6)17-22-16-25(21-12-8-7-9-13-21)26-24-15-11-10-14-23(22)24/h7-15,18-20,22,25-26H,16-17H2,1-6H3/t22?,25-/m0/s1
InChIKeyDJFNXPBGSHUYGX-TUXUZCGSSA-N
MW379.66 g/mol
LogP8.01
Rot. Bonds6

About [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane

[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane (PubChem CID 102388736) has the molecular formula C25H37NSi and a molecular weight of 379.66 g/mol. Its IUPAC name is [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane
PubChem CID102388736
Molecular FormulaC25H37NSi
Molecular Weight379.66 g/mol
Exact Mass379.27
IUPAC Name[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC1C[C@@H](c2ccccc2)Nc2ccccc21)(C(C)C)C(C)C
InChIInChI=1S/C25H37NSi/c1-18(2)27(19(3)4,20(5)6)17-22-16-25(21-12-8-7-9-13-21)26-24-15-11-10-14-23(22)24/h7-15,18-20,22,25-26H,16-17H2,1-6H3/t22?,25-/m0/s1
InChIKeyDJFNXPBGSHUYGX-TUXUZCGSSA-N
XLogP8.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.66
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile
CID 73407805
2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 73425029
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 10333801
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
(2S,4S)-2,4-bis(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 102430675
4-phenyl-2-propyl-1,2,3,4-tetrahydroquinoline
CID 139220205
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
(2S,4S)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 99981851
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144
1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 40526644
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane (CID 102388736) is [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane is CC(C)[Si](CC1C[C@@H](c2ccccc2)Nc2ccccc21)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane?
The InChIKey is DJFNXPBGSHUYGX-TUXUZCGSSA-N. The full InChI is InChI=1S/C25H37NSi/c1-18(2)27(19(3)4,20(5)6)17-22-16-25(21-12-8-7-9-13-21)26-24-15-11-10-14-23(22)24/h7-15,18-20,22,25-26H,16-17H2,1-6H3/t22?,25-/m0/s1.
What are the key properties of [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane?
[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane has a molecular weight of 379.66 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102388736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).