2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine

C26H36FN3O2Si — CID 140621918

IUPAC2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(N)c(OCC(CF)O[Si](C)(C)C(C)(C)C)c3)ccc2c1
InChIInChI=1S/C26H36FN3O2Si/c1-26(2,3)33(6,7)32-21(16-27)17-31-25-15-19(8-11-22(25)28)23-12-9-18-14-20(30(4)5)10-13-24(18)29-23/h8-15,21H,16-17,28H2,1-7H3
InChIKeyPPPIDSUDUGLZNK-UHFFFAOYSA-N
MW469.68 g/mol
LogP6.29
Rot. Bonds8

About 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine

2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine (PubChem CID 140621918) has the molecular formula C26H36FN3O2Si and a molecular weight of 469.68 g/mol. Its IUPAC name is 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine.

Molecular Properties

Compound Name2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine
PubChem CID140621918
Molecular FormulaC26H36FN3O2Si
Molecular Weight469.68 g/mol
Exact Mass469.26
IUPAC Name2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(N)c(OCC(CF)O[Si](C)(C)C(C)(C)C)c3)ccc2c1
InChIInChI=1S/C26H36FN3O2Si/c1-26(2,3)33(6,7)32-21(16-27)17-31-25-15-19(8-11-22(25)28)23-12-9-18-14-20(30(4)5)10-13-24(18)29-23/h8-15,21H,16-17,28H2,1-7H3
InChIKeyPPPIDSUDUGLZNK-UHFFFAOYSA-N
XLogP6.29
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine?
The IUPAC name of 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine (CID 140621918) is 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine.
What is the SMILES notation for 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine?
The canonical SMILES for 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine is CN(C)c1ccc2nc(-c3ccc(N)c(OCC(CF)O[Si](C)(C)C(C)(C)C)c3)ccc2c1.
What is the InChIKey of 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine?
The InChIKey is PPPIDSUDUGLZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2Si/c1-26(2,3)33(6,7)32-21(16-27)17-31-25-15-19(8-11-22(25)28)23-12-9-18-14-20(30(4)5)10-13-24(18)29-23/h8-15,21H,16-17,28H2,1-7H3.
What are the key properties of 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine?
2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine has a molecular weight of 469.68 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]phenyl]-N,N-dimethylquinolin-6-amine is sourced from PubChem (CID 140621918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).