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

C15H25F2NOSi — CID 77463781

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-9-8-14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,8-9,18H2,1-5H3
InChIKeyGJVUJLGLSDEPNT-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.38
Rot. Bonds5

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

3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine (PubChem CID 77463781) has the molecular formula C15H25F2NOSi and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
PubChem CID77463781
Molecular FormulaC15H25F2NOSi
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-9-8-14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,8-9,18H2,1-5H3
InChIKeyGJVUJLGLSDEPNT-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-3-(4-fluorophenyl)propan-1-ol
CID 22115252
3-Amino-3-(2-fluorophenyl)propan-1-ol
CID 2766208
(r)-3-(4-Fluorophenyl)-beta-alaninol
CID 10197883
(3S)-3-Amino-3-(4-fluorophenyl)propan-1-ol
CID 10219601
1-(4-Fluorophenyl)-2-methoxyethan-1-amine
CID 16794201
3-Amino-3-(3-fluorophenyl)propan-1-ol
CID 44607618
(r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenyl-ethan-1-amine
CID 11791653
[(2S)-2-amino-2-phenylethoxy](tert-butyl)dimethylsilane
CID 14335550
1-(2,4-Difluorophenyl)-3-methoxypropan-2-amine
CID 62196901
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135005493
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135005494
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide
CID 166446319

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine (CID 77463781) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine is CC(C)(C)[Si](C)(C)OCCC(N)c1ccc(F)cc1F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine?
The InChIKey is GJVUJLGLSDEPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-9-8-14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,8-9,18H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine?
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine is sourced from PubChem (CID 77463781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).