1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol

C16H27Cl2NO2Si — CID 70110091

IUPAC1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC(CC(O)CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H27Cl2NO2Si/c1-16(2,3)22(4,5)21-15(9-12(20)10-19)11-6-7-13(17)14(18)8-11/h6-8,12,15,20H,9-10,19H2,1-5H3
InChIKeyJTWJBVBTNFJPTJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.77
Rot. Bonds6

About 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol

1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol (PubChem CID 70110091) has the molecular formula C16H27Cl2NO2Si and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
PubChem CID70110091
Molecular FormulaC16H27Cl2NO2Si
Molecular Weight364.39 g/mol
Exact Mass363.12
IUPAC Name1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC(CC(O)CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H27Cl2NO2Si/c1-16(2,3)22(4,5)21-15(9-12(20)10-19)11-6-7-13(17)14(18)8-11/h6-8,12,15,20H,9-10,19H2,1-5H3
InChIKeyJTWJBVBTNFJPTJ-UHFFFAOYSA-N
XLogP4.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
CID 91743544
4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-3-hydroxybutanenitrile
CID 66975505
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
CID 66783955
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
CID 19073649
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol?
The IUPAC name of 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol (CID 70110091) is 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol is CC(C)(C)[Si](C)(C)OC(CC(O)CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol?
The InChIKey is JTWJBVBTNFJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Cl2NO2Si/c1-16(2,3)22(4,5)21-15(9-12(20)10-19)11-6-7-13(17)14(18)8-11/h6-8,12,15,20H,9-10,19H2,1-5H3.
What are the key properties of 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol?
1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol has a molecular weight of 364.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol is sourced from PubChem (CID 70110091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).