(1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine

C20H38N2OSi — CID 101105909

About (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine

(1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine (PubChem CID 101105909) has the molecular formula C20H38N2OSi and a molecular weight of 350.62 g/mol. Its IUPAC name is (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine
• PubChem CID: 101105909
• Molecular Formula: C20H38N2OSi
• Molecular Weight: 350.62 g/mol
• Exact Mass: 350.28
• IUPAC Name: (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine
• SMILES: C[C@H](c1cc(O[Si](C)(C)C(C)(C)C)cc([C@H](C)N(C)C)c1)N(C)C
• InChI: InChI=1S/C20H38N2OSi/c1-15(21(6)7)17-12-18(16(2)22(8)9)14-19(13-17)23-24(10,11)20(3,4)5/h12-16H,1-11H3/t15-,16+
• InChIKey: AOYNZQGNKVOGQD-IYBDPMFKSA-N
• XLogP: 5.32
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.62
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine?

The IUPAC name of (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine (CID 101105909) is (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine.

What is the SMILES notation for (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine?

The canonical SMILES for (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine is C[C@H](c1cc(O[Si](C)(C)C(C)(C)C)cc([C@H](C)N(C)C)c1)N(C)C.

What is the InChIKey of (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine?

The InChIKey is AOYNZQGNKVOGQD-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H38N2OSi/c1-15(21(6)7)17-12-18(16(2)22(8)9)14-19(13-17)23-24(10,11)20(3,4)5/h12-16H,1-11H3/t15-,16+.

What are the key properties of (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine?

(1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 350.62 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 101105909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).