4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine

C16H26F3NOSi — CID 142637755

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H26F3NOSi/c1-16(2,3)22(4,5)21-9-8-11(10-20)12-6-7-13(17)15(19)14(12)18/h6-7,11H,8-10,20H2,1-5H3
InChIKeyXYHACBFBEFUULF-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.56
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine

4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine (PubChem CID 142637755) has the molecular formula C16H26F3NOSi and a molecular weight of 333.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine
PubChem CID142637755
Molecular FormulaC16H26F3NOSi
Molecular Weight333.47 g/mol
Exact Mass333.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H26F3NOSi/c1-16(2,3)22(4,5)21-9-8-11(10-20)12-6-7-13(17)15(19)14(12)18/h6-7,11H,8-10,20H2,1-5H3
InChIKeyXYHACBFBEFUULF-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
CID 102251714
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)butan-1-amine
CID 18354478
3-(r)-t-Butyldimethylsilyloxymethyl-4-(s)-(3-fluorophenyl)pyrrolidine
CID 21341071
(1E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
CID 21651821
4-[Tert-butyl(dimethyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 21697397
Tert-butyl-[[4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 21912700
4-Amino-3-(3,4-difluorophenyl)-1-butanol
CID 22452637
4-Amino-3-(4-fluorophenyl)butan-1-ol
CID 25180231
(2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 56975180
3-[Tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine
CID 58548890
3-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
CID 58548906
3-[Tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 58548915

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine (CID 142637755) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine is CC(C)(C)[Si](C)(C)OCCC(CN)c1ccc(F)c(F)c1F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine?
The InChIKey is XYHACBFBEFUULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NOSi/c1-16(2,3)22(4,5)21-9-8-11(10-20)12-6-7-13(17)15(19)14(12)18/h6-7,11H,8-10,20H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine has a molecular weight of 333.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 142637755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).