1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride

C12H20ClF2NOSi — CID 112548417

IUPAC1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride
SMILESCC(N)C(O[Si](C)(C)C)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C12H19F2NOSi.ClH/c1-8(15)12(16-17(2,3)4)9-5-6-10(13)11(14)7-9;/h5-8,12H,15H2,1-4H3;1H
InChIKeyGYZOSMQYDCBELN-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.63
Rot. Bonds4

About 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride

1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride (PubChem CID 112548417) has the molecular formula C12H20ClF2NOSi and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride
PubChem CID112548417
Molecular FormulaC12H20ClF2NOSi
Molecular Weight295.83 g/mol
Exact Mass295.10
IUPAC Name1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride
SMILESCC(N)C(O[Si](C)(C)C)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C12H19F2NOSi.ClH/c1-8(15)12(16-17(2,3)4)9-5-6-10(13)11(14)7-9;/h5-8,12H,15H2,1-4H3;1H
InChIKeyGYZOSMQYDCBELN-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride?
The IUPAC name of 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride (CID 112548417) is 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride is CC(N)C(O[Si](C)(C)C)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride?
The InChIKey is GYZOSMQYDCBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NOSi.ClH/c1-8(15)12(16-17(2,3)4)9-5-6-10(13)11(14)7-9;/h5-8,12H,15H2,1-4H3;1H.
What are the key properties of 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride?
1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride is sourced from PubChem (CID 112548417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).