1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine

C17H29F2NOSi — CID 21255688

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)NCc1ccc(F)cc1F
InChIInChI=1S/C17H29F2NOSi/c1-16(2,3)22(6,7)21-12-17(4,5)20-11-13-8-9-14(18)10-15(13)19/h8-10,20H,11-12H2,1-7H3
InChIKeyFCHKNODQJGHSKI-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.85
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 21255688) has the molecular formula C17H29F2NOSi and a molecular weight of 329.51 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID21255688
Molecular FormulaC17H29F2NOSi
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)NCc1ccc(F)cc1F
InChIInChI=1S/C17H29F2NOSi/c1-16(2,3)22(6,7)21-12-17(4,5)20-11-13-8-9-14(18)10-15(13)19/h8-10,20H,11-12H2,1-7H3
InChIKeyFCHKNODQJGHSKI-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.85
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

N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
N-(2-fluorobenzyl)-2-methoxyethanamine
CID 3931060
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
[(2S,3S)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014998
N-(3,4-Difluorobenzyl)ethanolamine
CID 10236055
2-((2-Fluorobenzyl)amino)-2-methylpropan-1-ol
CID 272310
(4-Fluorobenzyl)(2-methoxyethyl)amine
CID 3865760
Benzyl(1-methoxy-2-methylpropan-2-yl)amine
CID 71758209
4-Fluorobenzyl-dimethyl-silyl-methanamine
CID 129735841
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine
CID 134813823
(S)-2-((tert-Butyldimethylsilyl)oxy)-N-((R)-1-(4-fluorophenyl)ethyl)penta-1,4-dien-3-amine
CID 134813839
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-9-fluoronona-1,4-dien-3-amine
CID 134813866

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine (CID 21255688) is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(CO[Si](C)(C)C(C)(C)C)NCc1ccc(F)cc1F.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is FCHKNODQJGHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2NOSi/c1-16(2,3)22(6,7)21-12-17(4,5)20-11-13-8-9-14(18)10-15(13)19/h8-10,20H,11-12H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 329.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(2,4-difluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 21255688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).