(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine

C17H28FNOSi — CID 102251714

IUPAC(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-15-11-10-14(19)16(15)12-6-8-13(18)9-7-12/h6-9,14-16H,10-11,19H2,1-5H3/t14-,15+,16+/m1/s1
InChIKeyMNMKSEGDGHUTMF-PMPSAXMXSA-N
MW309.50 g/mol
LogP4.42
Rot. Bonds3

About (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine

(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine (PubChem CID 102251714) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
PubChem CID102251714
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC Name(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-15-11-10-14(19)16(15)12-6-8-13(18)9-7-12/h6-9,14-16H,10-11,19H2,1-5H3/t14-,15+,16+/m1/s1
InChIKeyMNMKSEGDGHUTMF-PMPSAXMXSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.42
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

4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)butan-1-amine
CID 18354478
(1E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
CID 21651821
3-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
CID 58548906
(1S)-1-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]-2-(2-fluorophenyl)ethanamine
CID 68281461
1-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]-2-(2-fluorophenyl)ethanamine
CID 68281491
(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine
CID 70336713
(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
CID 70365587
(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine
CID 140530647
Tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane
CID 141039550
4-[Tert-butyl(dimethyl)silyl]oxy-2-(2,3,4-trifluorophenyl)butan-1-amine
CID 142637755
2-[Tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine
CID 72790607
4-[Tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine
CID 18354475

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine?
The IUPAC name of (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine (CID 102251714) is (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine.
What is the SMILES notation for (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine?
The canonical SMILES for (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](N)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine?
The InChIKey is MNMKSEGDGHUTMF-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-15-11-10-14(19)16(15)12-6-8-13(18)9-7-12/h6-9,14-16H,10-11,19H2,1-5H3/t14-,15+,16+/m1/s1.
What are the key properties of (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine?
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 102251714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).