[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine

C20H27F2NOSi — CID 66873509

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H27F2NOSi/c1-20(2,3)25(4,5)24-13-14-6-8-15(9-7-14)19(23)16-10-11-17(21)18(22)12-16/h6-12,19H,13,23H2,1-5H3
InChIKeyALWPMFPRDRSKEK-UHFFFAOYSA-N
MW363.52 g/mol
LogP5.53
Rot. Bonds5

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine (PubChem CID 66873509) has the molecular formula C20H27F2NOSi and a molecular weight of 363.52 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine
PubChem CID66873509
Molecular FormulaC20H27F2NOSi
Molecular Weight363.52 g/mol
Exact Mass363.18
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H27F2NOSi/c1-20(2,3)25(4,5)24-13-14-6-8-15(9-7-14)19(23)16-10-11-17(21)18(22)12-16/h6-12,19H,13,23H2,1-5H3
InChIKeyALWPMFPRDRSKEK-UHFFFAOYSA-N
XLogP5.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-Fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 17934463
(2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 56975180
2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 59527969
(S)-2-(tert-butyldiphenylsilyloxy)-1-(4-fluorophenyl)ethanamine
CID 59591227
[4-[Amino-(4-fluorophenyl)methyl]phenyl]methanol
CID 59592048
3-(t-Butyldimethylsilyloxy)methyl-5-fluoromethylbenzylamine
CID 67254327
2-[Tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
CID 67428073
(1R,2R)-2-tert-butyldiphenylsilanyloxy-1-(3,4,5-trifluorophenyl)propylamine
CID 68719033
(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-difluorophenyl)propan-1-amine
CID 69004541
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 69005937
(1S)-1-[3-fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 69448650
(Z,2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 70365588

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine (CID 66873509) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine is CC(C)(C)[Si](C)(C)OCc1ccc(C(N)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine?
The InChIKey is ALWPMFPRDRSKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NOSi/c1-20(2,3)25(4,5)24-13-14-6-8-15(9-7-14)19(23)16-10-11-17(21)18(22)12-16/h6-12,19H,13,23H2,1-5H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine has a molecular weight of 363.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 66873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).