3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

C26H41NO2Si — CID 22735214

IUPAC3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCOCc1ccc(O[Si](C)(C)C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C26H41NO2Si/c1-20(2)27(21(3)4)17-16-24(23-12-10-9-11-13-23)25-18-22(19-28-5)14-15-26(25)29-30(6,7)8/h9-15,18,20-21,24H,16-17,19H2,1-8H3
InChIKeyVOUWGJXLEZGHKS-UHFFFAOYSA-N
MW427.71 g/mol
LogP6.69
Rot. Bonds11

About 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 22735214) has the molecular formula C26H41NO2Si and a molecular weight of 427.71 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID22735214
Molecular FormulaC26H41NO2Si
Molecular Weight427.71 g/mol
Exact Mass427.29
IUPAC Name3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCOCc1ccc(O[Si](C)(C)C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C26H41NO2Si/c1-20(2)27(21(3)4)17-16-24(23-12-10-9-11-13-23)25-18-22(19-28-5)14-15-26(25)29-30(6,7)8/h9-15,18,20-21,24H,16-17,19H2,1-8H3
InChIKeyVOUWGJXLEZGHKS-UHFFFAOYSA-N
XLogP6.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (CID 22735214) is 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is COCc1ccc(O[Si](C)(C)C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1.
What is the InChIKey of 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is VOUWGJXLEZGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO2Si/c1-20(2)27(21(3)4)17-16-24(23-12-10-9-11-13-23)25-18-22(19-28-5)14-15-26(25)29-30(6,7)8/h9-15,18,20-21,24H,16-17,19H2,1-8H3.
What are the key properties of 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 427.71 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-2-trimethylsilyloxyphenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 22735214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).