1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one

C18H30ClNO3Si — CID 58200243

IUPAC1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one
SMILESCc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1CC(=O)CN
InChIInChI=1S/C18H30ClNO3Si/c1-13-9-16(19)17(11-14(13)10-15(21)12-20)22-7-8-23-24(5,6)18(2,3)4/h9,11H,7-8,10,12,20H2,1-6H3
InChIKeyBRFWDERMAUOQMV-UHFFFAOYSA-N
MW371.98 g/mol
LogP4.12
Rot. Bonds8

About 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one

1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one (PubChem CID 58200243) has the molecular formula C18H30ClNO3Si and a molecular weight of 371.98 g/mol. Its IUPAC name is 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one
PubChem CID58200243
Molecular FormulaC18H30ClNO3Si
Molecular Weight371.98 g/mol
Exact Mass371.17
IUPAC Name1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one
SMILESCc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1CC(=O)CN
InChIInChI=1S/C18H30ClNO3Si/c1-13-9-16(19)17(11-14(13)10-15(21)12-20)22-7-8-23-24(5,6)18(2,3)4/h9,11H,7-8,10,12,20H2,1-6H3
InChIKeyBRFWDERMAUOQMV-UHFFFAOYSA-N
XLogP4.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.98
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one?
The IUPAC name of 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one (CID 58200243) is 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one.
What is the SMILES notation for 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one?
The canonical SMILES for 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one is Cc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1CC(=O)CN.
What is the InChIKey of 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one?
The InChIKey is BRFWDERMAUOQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO3Si/c1-13-9-16(19)17(11-14(13)10-15(21)12-20)22-7-8-23-24(5,6)18(2,3)4/h9,11H,7-8,10,12,20H2,1-6H3.
What are the key properties of 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one?
1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one has a molecular weight of 371.98 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylphenyl]propan-2-one is sourced from PubChem (CID 58200243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).