N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine

C16H27ClFNOSi — CID 87286928

IUPACN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CNCCF)ccc1Cl
InChIInChI=1S/C16H27ClFNOSi/c1-16(2,3)21(4,5)20-12-14-10-13(6-7-15(14)17)11-19-9-8-18/h6-7,10,19H,8-9,11-12H2,1-5H3
InChIKeyVFZHFQOZYYRGBV-UHFFFAOYSA-N
MW331.94 g/mol
LogP4.92
Rot. Bonds7

About N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine

N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine (PubChem CID 87286928) has the molecular formula C16H27ClFNOSi and a molecular weight of 331.94 g/mol. Its IUPAC name is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine
PubChem CID87286928
Molecular FormulaC16H27ClFNOSi
Molecular Weight331.94 g/mol
Exact Mass331.15
IUPAC NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CNCCF)ccc1Cl
InChIInChI=1S/C16H27ClFNOSi/c1-16(2,3)21(4,5)20-12-14-10-13(6-7-15(14)17)11-19-9-8-18/h6-7,10,19H,8-9,11-12H2,1-5H3
InChIKeyVFZHFQOZYYRGBV-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine?
The IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine (CID 87286928) is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine?
The canonical SMILES for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine is CC(C)(C)[Si](C)(C)OCc1cc(CNCCF)ccc1Cl.
What is the InChIKey of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine?
The InChIKey is VFZHFQOZYYRGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClFNOSi/c1-16(2,3)21(4,5)20-12-14-10-13(6-7-15(14)17)11-19-9-8-18/h6-7,10,19H,8-9,11-12H2,1-5H3.
What are the key properties of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine?
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine has a molecular weight of 331.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine is sourced from PubChem (CID 87286928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).