(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine

C23H34ClNOSi — CID 101031220

IUPAC(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cl)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34ClNOSi/c1-23(2,3)27(4,5)26-19-22(24)18-25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,22H,16-19H2,1-5H3/t22-/m0/s1
InChIKeyALWFZVZNZCIRET-QFIPXVFZSA-N
MW404.07 g/mol
LogP6.32
Rot. Bonds9

About (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine

(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine (PubChem CID 101031220) has the molecular formula C23H34ClNOSi and a molecular weight of 404.07 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine
PubChem CID101031220
Molecular FormulaC23H34ClNOSi
Molecular Weight404.07 g/mol
Exact Mass403.21
IUPAC Name(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cl)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34ClNOSi/c1-23(2,3)27(4,5)26-19-22(24)18-25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,22H,16-19H2,1-5H3/t22-/m0/s1
InChIKeyALWFZVZNZCIRET-QFIPXVFZSA-N
XLogP6.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.07
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine?
The IUPAC name of (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine (CID 101031220) is (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine.
What is the SMILES notation for (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine?
The canonical SMILES for (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine is CC(C)(C)[Si](C)(C)OC[C@@H](Cl)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine?
The InChIKey is ALWFZVZNZCIRET-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H34ClNOSi/c1-23(2,3)27(4,5)26-19-22(24)18-25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,22H,16-19H2,1-5H3/t22-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine?
(2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine has a molecular weight of 404.07 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-chloropropan-1-amine is sourced from PubChem (CID 101031220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).