[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine

C14H24ClNOSi — CID 67148850

IUPAC[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CN)ccc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-10-12-8-11(9-16)6-7-13(12)15/h6-8H,9-10,16H2,1-5H3
InChIKeyJSZCCOCTUUPOEP-UHFFFAOYSA-N
MW285.89 g/mol
LogP4.32
Rot. Bonds4

About [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine (PubChem CID 67148850) has the molecular formula C14H24ClNOSi and a molecular weight of 285.89 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine
PubChem CID67148850
Molecular FormulaC14H24ClNOSi
Molecular Weight285.89 g/mol
Exact Mass285.13
IUPAC Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CN)ccc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-10-12-8-11(9-16)6-7-13(12)15/h6-8H,9-10,16H2,1-5H3
InChIKeyJSZCCOCTUUPOEP-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(t-Butyldimethylsilyloxy)methyl-5-fluoromethylbenzylamine
CID 67254327
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2-fluoroethanamine
CID 87286928
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine
CID 87478481
[3-(Aminomethyl)-6-chloro-2-fluorophenyl]methanol
CID 90223896
3-(tert-Butyldimethylsiloxymethyl)benzylamine
CID 22049979
N-[3-({[tert-Butyl(dimethyl)silyl]oxy}methyl)-4-chlorobenzyl]-N-methylacetamide
CID 66761148
(2E)-3-[3-({[tert-Butyl(dimethyl)silyl]oxy}methyl)-4-chlorophenyl]acrylonitrile
CID 66761196
3-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]prop-2-enenitrile
CID 66761197
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]-N-methylmethanamine
CID 66761586
[3-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-4-chlorobenzyl]methylamine
CID 66761587
2-[3,4-Dichloro-5-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)phenyl]ethanamine
CID 66895829
(3-(Tert-butyldimethylsilanyloxymethyl)-4-chlorobenzyl)carbamic acid methyl ester
CID 67148148

Frequently Asked Questions

What is the IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine?
The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine (CID 67148850) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine.
What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine?
The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine is CC(C)(C)[Si](C)(C)OCc1cc(CN)ccc1Cl.
What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine?
The InChIKey is JSZCCOCTUUPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-10-12-8-11(9-16)6-7-13(12)15/h6-8H,9-10,16H2,1-5H3.
What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine?
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine has a molecular weight of 285.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanamine is sourced from PubChem (CID 67148850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).