4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol

C14H25NO2Si — CID 171890466

IUPAC4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C14H25NO2Si/c1-15-9-8-13(16)14(17)11-6-5-7-12(10-11)18(2,3)4/h5-7,10,13-17H,8-9H2,1-4H3
InChIKeyNPESMJOKDIDWDB-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.24
Rot. Bonds6

About 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol

4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol (PubChem CID 171890466) has the molecular formula C14H25NO2Si and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol
PubChem CID171890466
Molecular FormulaC14H25NO2Si
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C14H25NO2Si/c1-15-9-8-13(16)14(17)11-6-5-7-12(10-11)18(2,3)4/h5-7,10,13-17H,8-9H2,1-4H3
InChIKeyNPESMJOKDIDWDB-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(chloromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171889742
1-(3-azidophenyl)-4-(methylamino)butane-1,2-diol
CID 171890356
4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
CID 171891043
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
CID 171897631
1-(3-chloro-4-hydroxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171889814
1-(2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889774
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891210

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol?
The IUPAC name of 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol (CID 171890466) is 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol?
The canonical SMILES for 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol is CNCCC(O)C(O)c1cccc([Si](C)(C)C)c1.
What is the InChIKey of 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol?
The InChIKey is NPESMJOKDIDWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2Si/c1-15-9-8-13(16)14(17)11-6-5-7-12(10-11)18(2,3)4/h5-7,10,13-17H,8-9H2,1-4H3.
What are the key properties of 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol?
4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol has a molecular weight of 267.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(3-trimethylsilylphenyl)butane-1,2-diol is sourced from PubChem (CID 171890466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).